SCHEMBL5014650

SCHEMBL5014650

CC(Nc1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 3/20 0.54
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MCL1 Q07820 1/20 0.48
MAPT P10636 3/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
NLRP3 Q96P20 1/20 0.45
MMP1 P03956 2/20 0.44
MMP3 P08254 2/20 0.44
MMP7 P09237 2/20 0.44
MMP9 P14780 2/20 0.44
MMP13 P45452 2/20 0.44
SAE1 Q9UBE0 1/20 0.44
UBA2 Q9UBT2 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL5014651 1.00 MMP2 (0.54) MMP2MEN1KMT2AMCL1MAPT
SCHEMBL27406586 0.84 MMP2 (0.53) MMP2MEN1KMT2AMCL1MAPT
SCHEMBL27406587 0.84 MMP2 (0.53) MMP2MEN1KMT2AMCL1MAPT
SCHEMBL8389168 0.84 MMP2 (0.53) MMP2MEN1KMT2AMCL1MAPT
SCHEMBL3610994 0.83 MMP2 (0.56) MMP2MEN1KMT2AMAPTLMNA
SCHEMBL28097058 0.83 MEN1 (0.52) MMP2MEN1KMT2AMCL1MAPT
Hydrochloric Acid SCHEMBL29565420 0.83 MMP2 (0.51) MMP2MEN1KMT2AMCL1MAPT
SCHEMBL11196704 0.83 MMP2 (0.56) MMP2MEN1KMT2AMAPTLMNA
SCHEMBL11332245 0.82 MEN1 (0.49) MMP2MEN1KMT2AMCL1MMP3
SCHEMBL14166098 0.82 CYP2C9 (0.39) MMP2MEN1KMT2AMAPTLMNA

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 32 patents — showing the first 20. 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-104379146-A Compositions and methods for inhibiting viral polymerase BIOCRYST PHARM INC 2015-02-25 CN disclosed
US-20130022620-A1 ASSAYS AND METHODS PERTAINING TO PRE-AMYLOID INTERMEDIATES NATIONAL INSTITUTES OF HEALTH 2013-01-24 US 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
EP-1282694-A4 SULFAMIDE AND BIS-SULFAMIDE AMINO ACID DERIVATIVES AS INHIBITORS OF PROTEOLYTIC ENZYMES SUPERGEN INC (US) 2005-10-26 EP disclosed
EP-1001764-A4 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO INC (US) 2005-08-24 EP disclosed
US-6903075-B1 Heterocyclic amide compounds as cell adhesion inhibitors MERCK & CO., INC. (US) 2005-06-07 US disclosed
WO-2001081561-A1 SULFAMIDE AND BIS-SULFAMIDE AMINO ACID DERIVATIVES AS INHIBITORS OF PROTEOLYTIC ENZYMES SUPERGEN, INC. (US) 2001-11-01 WO disclosed
EP-1011668-A4 1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES UNIV WICHITA STATE (US) 2001-08-16 EP disclosed
EP-1011668-A1 1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES THE WICHITA STATE UNIVERSITY (US) 2000-06-28 EP disclosed
EP-1001764-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS Merck & Co., Inc. (a New Jersey corp.) (US) 2000-05-24 EP disclosed
WO-1999064395-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1999-12-16 WO disclosed
WO-1999009977-A9 1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES UNIV WICHITA STATE (US) 1999-06-24 WO disclosed
WO-1999009977-A1 1,2,5-THIADIAZOLIDIN-3-ONE 1,1-DIOXIDE DERIVATIVES WICHITA STATE UNIVERSITY (US) 1999-03-04 WO disclosed
WO-1998053814-A1 HETEROCYCLIC AMIDE COMPOUNDS AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 1998-12-03 WO disclosed
US-5674890-A HYPOTENSIVE AGENTS; CARDIOVASCULAR DISORDERS; PSYCHOLOGICAL DISORDERS; ANTAGONISTS OF PEPTIDE Y SANOFI (FR) 1997-10-07 US disclosed
US-5663297-A OLIGOPEPTIDES HOFFMANN-LA ROCHE INC. (US) 1997-09-02 US disclosed