SCHEMBL5801212

SCHEMBL5801212

O=C(CNC(=O)Nc1ccc(Cl)cc1)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.61
NPC1 O15118 3/20 0.61
RAB9A P51151 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
CASR P41180 1/20 0.58
KMT2A Q03164 1/20 0.58
F10 P00742 1/20 0.54
ALDH1A1 P00352 1/20 0.54

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
SCHEMBL5801135 0.85 CNR1 (0.57) CNR1NPC1RAB9ASMN1; SMN2CASR
SCHEMBL5802784 0.84 ABAT (0.64) NPC1RAB9ASMN1; SMN2KMT2AALDH1A1
SCHEMBL21698113 0.84 CNR1 (0.54) CNR1NPC1RAB9ASMN1; SMN2CASR
SCHEMBL6374092 0.83 CNR1 (0.60) CNR1NPC1RAB9ASMN1; SMN2CASR
SCHEMBL4058363 0.83 NPC1 (0.65) CNR1NPC1RAB9ASMN1; SMN2CASR
SCHEMBL4105004 0.82 CNR1 (0.74) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL11054644 0.82 CNR1 (0.74) CNR1NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8264501 0.81 F10 (0.55) CNR1NPC1RAB9ASMN1; SMN2CASR
SCHEMBL7951914 0.81 RECQL (0.63) SMN1; SMN2KMT2AALDH1A1
SCHEMBL11432180 0.80 EPHX1 (0.57) NPC1RAB9ASMN1; SMN2ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO claimed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed