SCHEMBL9469232

SCHEMBL9469232

CC1(C)C(=O)N(c2ccc(Cl)cc2)c2ncc(Br)cc21

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.53
PGR P06401 6/20 0.51
ITGB2 P05107 8/20 0.41
ICAM1 P05362 8/20 0.41
ITGAL P20701 8/20 0.41
MARK3 P27448 1/20 0.40
CNR1 P21554 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL9469711 0.77 PGR (0.58) ELANEPGRMARK3ALDH1A1
SCHEMBL3516319 0.74 HSD17B10 (0.40) ITGB2ICAM1ITGALMARK3ALDH1A1
SCHEMBL9469382 0.71 PGR (0.43) ELANEPGRMARK3ALDH1A1
SCHEMBL9470463 0.69 PGR (0.46) ELANEPGRITGB2ICAM1ITGAL
SCHEMBL754868 0.67 NR3C2 (0.48) PGRCNR1ALDH1A1
SCHEMBL9469933 0.67 PGR (0.60) ELANEPGRMARK3ALDH1A1
SCHEMBL12582451 0.66 EGLN1 (0.50)
SCHEMBL9470419 0.66 PGR (0.43) ELANEPGRMARK3
SCHEMBL31180516 0.64 HSD17B10 (0.39) ALDH1A1
SCHEMBL9469726 0.64 KMT2A (0.45) ELANEPGRMARK3ALDH1A1

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 9 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
EP-0347698-A1 Heterobicyclic compounds having antiinflammatory activity SCHERING CORPORATION (US) 1989-12-27 EP claimed
US-5192800-A Hypotensive agents PFIZER INC. (US) 1993-03-09 US disclosed
US-5182289-A Pyrrolo 2,3-b!Pyridin-2-one Derivatives SCHERING CORPORATION (US) 1993-01-26 US disclosed
EP-0419561-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1991-04-03 EP disclosed
WO-1989012637-A1 HETEROBICYCLIC COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY SCHERING CORPORATION (US) 1989-12-28 WO disclosed
EP-0347698-A1 Heterobicyclic compounds having antiinflammatory activity SCHERING CORPORATION (US) 1989-12-27 EP disclosed