SCHEMBL9469726

SCHEMBL9469726

CC(C)c1ccc(N2C(=O)C(C)(C)c3cccnc32)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.45
MEN1 O00255 2/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PGR P06401 7/20 0.43
MGLL Q99685 1/20 0.43
MARK3 P27448 1/20 0.41
ELANE P08246 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.38
TNKS2 Q9H2K2 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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 0.86 PGR (0.58) ALDH1A1PGRMARK3ELANEEGLN1
SCHEMBL9981596 0.85 PGR (0.57) ALDH1A1PGRMGLLMARK3ELANE
SCHEMBL9469392 0.84 PGR (0.56) KMT2AMEN1ALDH1A1PGRMARK3
SCHEMBL9469799 0.83 PGR (0.58) KMT2AMEN1PGRMARK3EGLN1
SCHEMBL9469382 0.83 PGR (0.43) NPC1ALDH1A1RAB9ASMN1; SMN2PGR
SCHEMBL1699202 0.83 PGR (0.43) KMT2APGRMGLLMARK3ELANE
SCHEMBL9981591 0.83 PGR (0.43) KMT2AMEN1PGRMARK3ELANE
SCHEMBL9469970 0.81 PGR (0.60) KMT2AMEN1ALDH1A1RAB9APGR
SCHEMBL9469981 0.81 PGR (0.41) NPC1RAB9APGRMARK3ELANE
SCHEMBL9470463 0.81 PGR (0.46) PGRMARK3ELANEEGLN1

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 4 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