SCHEMBL5846772

SCHEMBL5846772

CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SSTR3 P32745 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
F2 P00734 3/20 0.40
GAA P10253 1/20 0.40
PDF Q9HBH1 1/20 0.39
QRFPR Q96P65 1/20 0.39
PARP14 Q460N5 1/20 0.39
NPY4R P50391 2/20 0.39
NPY1R P25929 1/20 0.39
NPY2R P49146 1/20 0.39
NPY5R Q15761 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
PLAU P00749 1/20 0.38
HPN P05981 1/20 0.38
FKBP4 Q02790 1/20 0.38
MAPT P10636 1/20 0.37
F2RL1 P55085 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Acetic Acid SCHEMBL7071345 0.98 SSTR3 (0.46) SSTR3SMN1; SMN2ITGA4ITGB7F2
4-Nitroaniline SCHEMBL3439260 0.88 ITGA4 (0.40) SSTR3ITGA4ITGB7F2QRFPR
SCHEMBL30585153 0.88 QRFPR (0.49) SSTR3QRFPRNPY1RF2RL1
SCHEMBL30073980 0.87 SSTR3 (0.47) SSTR3SMN1; SMN2PDFMEN1KMT2A
Hydrochloric Acid SCHEMBL9763709 0.87 SSTR3 (0.41) SSTR3F2GAAPDFPARP14
Acetic Acid SCHEMBL7129802 0.85 ITGA4 (0.40) ITGA4ITGB7F2QRFPRPARP14
Hydrochloric Acid SCHEMBL9763347 0.84 PDF (0.44) SSTR3SMN1; SMN2PDFPARP14NPY4R
SCHEMBL236067 0.84 SIRT5 (0.51)
SCHEMBL14264834 0.84 SIRT5 (0.51)
SCHEMBL14286269 0.84 SIRT5 (0.51)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10598656-B2 Method of selecting analyte to samples using a lateral flow device CREDO BIOMEDICAL PTE LTD. (SG) 2020-03-24 US disclosed
US-10196670-B2 Methods and kits for measuring protease activity in feed NOVUS INTERNATIONAL, INC. (US) 2019-02-05 US disclosed
EP-2745114-B1 MOLECULAR DIAGNOSTIC ASSAY DEVICE AND METHOD OF USE CREDO BIOMEDICAL PTE LTD (SG) 2018-10-17 EP disclosed
WO-2016205118-A1 METHODS AND KITS FOR MEASURING PROTEASE ACTIVITY IN FEED NOVUS INTERNATIONAL INC. (US) 2016-12-22 WO disclosed
US-20160369320-A1 METHODS AND KITS FOR MEASURING PROTEASE ACTIVITY IN FEED NOVUS INTERNATIONAL, INC. 2016-12-22 US disclosed
US-20150168394-A1 MOLECULAR DIAGNOSTIC ASSAY DEVICE AND METHOD OF USE CREDO BIOMEDICAL PTE LTD 2015-06-18 US disclosed
US-20150010904-A1 MOLECULAR DIAGNOSTIC ASSAY DEVICE AND METHOD OF USE CREDO BIOMEDICAL PTE LTD. (SG) 2015-01-08 US disclosed
EP-2745114-A2 MOLECULAR DIAGNOSTIC ASSAY DEVICE AND METHOD OF USE Credo Biomedical Pte Ltd. (SG) 2014-06-25 EP disclosed
US-20130089858-A1 MOLECULAR DIAGNOSTIC ASSAY DEVICE AND METHOD OF USE CREDO BIOMEDICAL PTE LTD. (SG) 2013-04-11 US disclosed
WO-2013040435-A2 MOLECULAR DIAGNOSTIC ASSAY DEVICE AND METHOD OF USE CREDO BIOMEDICAL PTE LTD (SG) 2013-03-21 WO disclosed
WO-2001079155-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 1,4-QUINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-25 WO disclosed
WO-2001077097-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO disclosed
WO-2001077079-A2 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED 4-PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-10-18 WO disclosed
WO-2001068605-A1 POLYCYCLIC ARYL AND HETEROARYL SUBSTITUTED BENZENES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2001-09-20 WO disclosed
WO-2000069826-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRIDONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 WO disclosed
WO-2000069832-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRYMIDINONES USEFUL AS ANTICOAGULANTS PHARMACIA CORPORATION (US) 2000-11-23 WO disclosed
WO-2000069833-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL URACILS AS ANTICOAGULATIVE AGENTS PHARMACIA CORPORATION (US) 2000-11-23 WO disclosed
WO-2000069834-A1 SUBSTITUTED POLYCYCLIC ARYL AND HETEROARYL PYRAZINONES USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE PHARMACIA CORPORATION (US) 2000-11-23 WO disclosed
US-5427931-A Useful in the treatment and detection of Alzheimer's disease THEN REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1995-06-27 US disclosed
US-5270165-A Diagnosing Alzheimer's disease THE REAGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1993-12-14 US disclosed