SCHEMBL21067769

SCHEMBL21067769

Cc1cccc2c1C(=O)N(c1ccc(C#N)cc1)C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.56
PGR P06401 4/20 0.56
TYMS P04818 3/20 0.52
GRM1 Q13255 1/20 0.52
GRM4 Q14833 1/20 0.52
DPP4 P27487 1/20 0.50
HSPA1A P0DMV8 1/20 0.49
PABPC1 P11940 1/20 0.49

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
SCHEMBL16863011 0.87 HSPA1A (0.67) ADORA2APGRDPP4HSPA1APABPC1
SCHEMBL14029131 0.83 ADORA2A (0.79) ADORA2ATYMSGRM1GRM4DPP4
SCHEMBL11520347 0.81 PGR (0.63) PGR
SCHEMBL29032513 0.78 HSPA1A (0.55) ADORA2APGRHSPA1APABPC1
SCHEMBL16863041 0.78 KDM4E (0.58) ADORA2APGR
SCHEMBL5573414 0.74 POLB (0.58) PGR
SCHEMBL17622251 0.73 PGR (0.44) ADORA2APGRHSPA1APABPC1
SCHEMBL16863029 0.72 HSPA1A (0.63) ADORA2ATYMSDPP4HSPA1APABPC1
SCHEMBL31061260 0.72 ADORA2A (1.00) ADORA2APGRDPP4HSPA1APABPC1
SCHEMBL11018522 0.72 DPP4 (0.63) TYMSDPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed
CN-1181091-C Factor Xa inhibitors ������̩�¹�˾ 2004-12-22 CN disclosed
CN-1172905-C Process for producing cyanobenzylamine salt �Ѻ͵繤��ʽ���� 2004-10-27 CN disclosed
CN-1341096-A Process for producing cyanobenzylamine salt SHOWA DENKO KK (JP) 2002-03-20 CN disclosed
CN-1147261-A Factor Xa inhibitors SELECTIDE CORP (US) 1997-04-09 CN disclosed