SCHEMBL9469652

SCHEMBL9469652

Cc1ccnc(Nc2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
DHODH Q02127 3/20 0.57
LRRK2 Q5S007 1/20 0.47
NPC1 O15118 4/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
TNF P01375 1/20 0.43
RXRA P19793 2/20 0.43
NR4A2 P43354 2/20 0.43
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
AHR P35869 2/20 0.40
NR1I2 O75469 1/20 0.40
CSNK2A2 P19784 1/20 0.40

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
SCHEMBL9488233 0.86 DHODH (0.55) RAB9AMEN1KMT2ASMN1; SMN2DHODH
SCHEMBL10488476 0.73 LRRK2 (0.50) RAB9AMEN1KMT2ASMN1; SMN2DHODH
SCHEMBL7761071 0.73 CYP1A2 (0.51) MAPTALDH1A1MAPKAPK2CSNK2A1
SCHEMBL9469395 0.73 DHODH (1.00) RAB9AMEN1KMT2ASMN1; SMN2DHODH
SCHEMBL1505140 0.72 SMN1; SMN2 (0.53) MEN1KMT2ASMN1; SMN2DHODHLMNA
Hydrochloric Acid SCHEMBL10561182 0.71 SMN1; SMN2 (0.52) MEN1KMT2ASMN1; SMN2DHODHLMNA
SCHEMBL16616388 0.69 RAB9A (0.76) RAB9AMEN1KMT2ASMN1; SMN2DHODH
SCHEMBL29305913 0.69 RAB9A (0.58) RAB9AMEN1KMT2ASMN1; SMN2DHODH
SCHEMBL11265251 0.69 POLB (0.53) RAB9AMEN1KMT2ASMN1; SMN2DHODH
SCHEMBL353204 0.68 KDM4E (0.40) KMT2ASMN1; SMN2MAPTLMNAL3MBTL1

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 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