SCHEMBL8264403

SCHEMBL8264403

CCN(C)C(=N)c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2cccs2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.46
RAB9A P51151 4/20 0.46
LMNA P02545 4/20 0.46
NPC1 O15118 3/20 0.46
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
F10 P00742 2/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
SMN1; SMN2 Q16637 5/20 0.40
UTS2R Q9UKP6 2/20 0.38
MAPT P10636 5/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
NLRP1 Q9C000 1/20 0.36

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
SCHEMBL8265491 0.90 HTT (0.47) HTTRAB9ALMNANPC1OPRM1
SCHEMBL8262945 0.84 MAPT (0.47) HTTF10KMT2AMEN1SMN1; SMN2
SCHEMBL8264462 0.78 SMN1; SMN2 (0.44) HTTRAB9ALMNANPC1F10
SCHEMBL8264033 0.77 SMN1; SMN2 (0.44) HTTRAB9ALMNANPC1F10
SCHEMBL8262948 0.75 F10 (0.43) HTTRAB9ANPC1F10KMT2A
SCHEMBL3561007 0.74 HTT (0.41) HTTRAB9ALMNANPC1OPRM1
SCHEMBL8263562 0.74 F7 (0.48) HTTRAB9ANPC1F10KMT2A
SCHEMBL8265206 0.74 F7 (0.43) HTTKMT2AMEN1SMN1; SMN2UTS2R
SCHEMBL13439293 0.74 F7 (0.43) HTTKMT2AMEN1SMN1; SMN2UTS2R
SCHEMBL8264048 0.73 F10 (0.44) HTTRAB9ALMNANPC1F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
US-7678913-B2 Ureas as factor Xa inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
WO-2006063113-A2 UREAS AS FACTOR XA INHIBITORS PORTOLA PHARMACEUTICALS, INC. (US) 2006-06-15 WO disclosed