SCHEMBL9469294

SCHEMBL9469294

C[S+]([O-])c1ccc(N2C(=O)C(C)(C)c3cccnc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.40
MARK3 P27448 2/20 0.40
EGLN1 Q9GZT9 2/20 0.39
ELANE P08246 3/20 0.36
AR P10275 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CRHR1 P34998 1/20 0.31

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
SCHEMBL9981596 0.83 PGR (0.57) PGRMARK3EGLN1ELANE
SCHEMBL9469392 0.83 PGR (0.56) PGRMARK3EGLN1ELANEMEN1
SCHEMBL9469799 0.82 PGR (0.58) PGRMARK3EGLN1MEN1KMT2A
SCHEMBL9469711 0.82 PGR (0.58) PGRMARK3EGLN1ELANE
SCHEMBL9469382 0.82 PGR (0.43) PGRMARK3EGLN1ELANE
SCHEMBL1699202 0.82 PGR (0.43) PGRMARK3EGLN1ELANEAR
SCHEMBL9981591 0.82 PGR (0.43) PGRMARK3EGLN1ELANEAR
SCHEMBL9479897 0.82 PGR (0.40) PGRMARK3EGLN1
SCHEMBL9469981 0.80 PGR (0.41) PGRMARK3EGLN1ELANE
SCHEMBL9469970 0.80 PGR (0.60) PGRMARK3ELANEMEN1KMT2A

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 5 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-5182289-A Pyrrolo 2,3-b!Pyridin-2-one Derivatives SCHERING CORPORATION (US) 1993-01-26 US disclosed