SCHEMBL9470463

SCHEMBL9470463

CC1(C)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncccc21

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.46
ITGAL P20701 6/20 0.43
ITGB2 P05107 5/20 0.43
ICAM1 P05362 5/20 0.43
TSHR P16473 1/20 0.43
ELANE P08246 1/20 0.41
CRHR1 P34998 1/20 0.40
MARK3 P27448 1/20 0.40
EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL9469933 0.89 PGR (0.60) PGRELANECRHR1MARK3
SCHEMBL9469711 0.89 PGR (0.58) PGRELANEMARK3EGLN1
SCHEMBL9470419 0.85 PGR (0.43) PGRELANEMARK3
SCHEMBL9469392 0.84 PGR (0.56) PGRELANEMARK3EGLN1
SCHEMBL9469763 0.81 PGR (0.44) PGRELANECRHR1
SCHEMBL9981596 0.81 PGR (0.57) PGRELANEMARK3EGLN1
SCHEMBL9469726 0.81 KMT2A (0.45) PGRELANEMARK3EGLN1
SCHEMBL9469799 0.80 PGR (0.58) PGRTSHRMARK3EGLN1
SCHEMBL1699202 0.80 PGR (0.43) PGRELANEMARK3EGLN1
SCHEMBL9469382 0.80 PGR (0.43) PGRTSHRELANEMARK3EGLN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5182289-A Pyrrolo 2,3-b!Pyridin-2-one Derivatives SCHERING CORPORATION (US) 1993-01-26 US claimed
EP-0419561-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1991-04-03 EP claimed
WO-1989012637-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1989-12-28 WO claimed