SCHEMBL5014648

SCHEMBL5014648

C[C@H](N)C(=O)Oc1ccc(C#N)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP15 Q460N3 1/20 0.47
PARP10 Q53GL7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
MGLL Q99685 2/20 0.47
MAPT P10636 3/20 0.45
ALDH1A1 P00352 1/20 0.45
MMP2 P08253 4/20 0.44
MMP3 P08254 1/20 0.44
F2 P00734 1/20 0.44
POLB P06746 2/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA9 Q16790 1/20 0.43
ELANE P08246 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43

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
SCHEMBL15679080 0.85 ELANE (0.55) PARP10MAPTALDH1A1POLBELANE
SCHEMBL23493150 0.85 ELANE (0.55) PARP10MAPTALDH1A1POLBELANE
Hydrochloric Acid SCHEMBL30184762 0.83 ELANE (0.53) PARP10MAPTALDH1A1POLBELANE
SCHEMBL19441077 0.83 MGLL (0.47) PARP15PARP10PARP2MGLLMAPT
SCHEMBL28035766 0.83 ELANE (0.43) PARP10CA1CA2CA9ELANE
SCHEMBL22329031 0.82 PARP15 (0.41) PARP15PARP10PARP2MGLLMAPT
SCHEMBL4441563 0.81 MGLL (0.55) MGLL
SCHEMBL10033505 0.80 MGLL (0.51) PARP15PARP10PARP2MGLLMAPT
SCHEMBL15679089 0.78 ELANE (0.48) PARP10MAPTCA1CA2CA9
SCHEMBL5058438 0.78 LMNA (0.55) MAPTALDH1A1ELANEGAAMEN1

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104995207-B β integrin-G protein α subunit binding interaction inhibitors 伊利诺伊州大学理事会 2018-08-07 CN disclosed
CN-104379146-B Inhibit the composition and method of varial polymerases 拜奥克里斯特制药公司 2018-07-10 CN disclosed
CN-106573073-A FAP-activated therapeutics and uses related thereto 塔夫茨大学信托人 2017-04-19 CN disclosed
CN-103265495-B Multicyclic amino acid derivatives and using method thereof 莱西肯医药有限公司 2016-11-16 CN disclosed
CN-104379146-A Compositions and methods for inhibiting viral polymerase BIOCRYST PHARM INC 2015-02-25 CN disclosed
CN-103265495-A Multicyclic amino acid derivatives and methods of their use LEXICON GENETICS INC 2013-08-28 CN disclosed
CN-101351451-B Polycyclic amino acid derivatives and methods of use thereof LEXICON PHARMACEUTICALS INC 2013-02-20 CN disclosed
US-20130022620-A1 ASSAYS AND METHODS PERTAINING TO PRE-AMYLOID INTERMEDIATES NATIONAL INSTITUTES OF HEALTH 2013-01-24 US disclosed
CN-102753168-A Tryptophan hydroxylase inhibitors for the treatment of metastatic bone disease LEXICON PHARMACEUTICALS INC 2012-10-24 CN disclosed
CN-102711749-A Tryptophan hydroxylase inhibitors for the treatment of cancer LEXICON PHARMACEUTICALS INC 2012-10-03 CN disclosed
CN-101969952-A Compositions comprising tryptophan hydroxylase inhibitors LEXICON PHARMACEUTICALS INC 2011-02-09 CN disclosed
CN-101815534-A methods and compositions for treating pulmonary hypertension and related diseases and disorders LEXICON PHARMACEUTICALS INC 2010-08-25 CN disclosed
CN-101801385-A Methods of affecting gastrointestinal transit and gastric emptying, and compounds useful therein LEXICON PHARMACEUTICALS INC 2010-08-11 CN disclosed
CN-101784269-A methods of treating serotonin-mediated diseases and disorders LEXICON PHARMACEUTICALS INC 2010-07-21 CN disclosed
CN-101351451-A Polycyclic amino acid derivatives and methods of use thereof LEXICON GENETICS INC (US) 2009-01-21 CN disclosed
CN-101287485-A Anti-angiogenic compounds IRELAND KALVEKS TECHNOLOGY CO (IE) 2008-10-15 CN disclosed
WO-2008031016-A2 HETEROCYCLIC LIGANDS FOR INTEGRIN IMAGING AND THERAPY THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2008-03-13 WO disclosed