SCHEMBL9469335

SCHEMBL9469335

CC(C)(C(=O)O)c1cccnc1Nc1ccc(Cl)cc1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 8/20 0.60
▸ SMN1; SMN2 Q16637 5/20 0.60
▸ DHODH Q02127 5/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ NPC1 O15118 5/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ MAPT P10636 4/20 0.46
▸ AHR P35869 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.44
▸ HTT P42858 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ PPIA P62937 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ P2RX3 P56373 1/20 0.41

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
SCHEMBL9838484 0.87 RAB9A (0.54) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL15038511 0.80 RAB9A (0.51) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL9469341 0.78 RAB9A (0.43) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL9469395 0.76 DHODH (1.00) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL15215720 0.75 RAB9A (0.49) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL15204805 0.75 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL29999657 0.75 SMN1; SMN2 (0.50) RAB9ASMN1; SMN2MEN1KMT2ANPC1
SCHEMBL16616388 0.74 RAB9A (0.76) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL29898323 0.74 RAB9A (0.76) RAB9ASMN1; SMN2DHODHMEN1KMT2A
SCHEMBL28824933 0.74 RAB9A (0.76) RAB9ASMN1; SMN2DHODHMEN1KMT2A

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
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