SCHEMBL9469649

SCHEMBL9469649

COC(=O)c1cccnc1Nc1ccc(Cl)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 8/20 0.72
▸ KMT2A Q03164 8/20 0.72
▸ RAB9A P51151 6/20 0.72
▸ DHODH Q02127 5/20 0.72
▸ SMN1; SMN2 Q16637 3/20 0.72
▸ NPC1 O15118 4/20 0.59
▸ ALDH1A1 P00352 3/20 0.59
▸ NPSR1 Q6W5P4 2/20 0.59
▸ HTT P42858 2/20 0.59
▸ MAPT P10636 5/20 0.56
▸ GAA P10253 2/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ AHR P35869 1/20 0.55
▸ MAPK1 P28482 2/20 0.53
▸ PKM P14618 1/20 0.49
▸ TSHR P16473 1/20 0.49

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
SCHEMBL7272537 0.87 RAB9A (0.72) MEN1KMT2ARAB9ADHODHSMN1; SMN2
SCHEMBL22445163 0.87 RAB9A (0.60) MEN1KMT2ARAB9ADHODHSMN1; SMN2
SCHEMBL8027592 0.87 RAB9A (0.60) MEN1KMT2ARAB9ADHODHSMN1; SMN2
SCHEMBL7281512 0.87 DHODH (0.71) MEN1KMT2ARAB9ADHODHSMN1; SMN2
SCHEMBL12478838 0.87 RAB9A (0.65) MEN1KMT2ARAB9ADHODHSMN1; SMN2
SCHEMBL15636015 0.86 DHODH (0.72) MEN1KMT2ARAB9ADHODHSMN1; SMN2
SCHEMBL22453338 0.86 RAB9A (0.59) MEN1KMT2ARAB9ADHODHSMN1; SMN2
SCHEMBL7278408 0.86 RAB9A (0.80) MEN1KMT2ARAB9ADHODHSMN1; SMN2
SCHEMBL16616388 0.85 RAB9A (0.76) MEN1KMT2ARAB9ADHODHSMN1; SMN2
SCHEMBL7271426 0.85 MEN1 (0.58) MEN1KMT2ARAB9ADHODHSMN1; SMN2

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
Send feedback