SCHEMBL8265491

SCHEMBL8265491

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

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.47
LMNA P02545 4/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
F10 P00742 4/20 0.44
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
KMT2A Q03164 6/20 0.41
MEN1 O00255 5/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
MAPT P10636 3/20 0.39
NLRP1 Q9C000 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
CNR1 P21554 1/20 0.38
TSHR P16473 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL8264403 0.90 HTT (0.46) HTTLMNANPC1RAB9AF10
SCHEMBL8263562 0.83 F7 (0.48) HTTNPC1RAB9AF10KMT2A
SCHEMBL8264453 0.81 F10 (0.46) HTTLMNANPC1RAB9AF10
SCHEMBL8264462 0.81 SMN1; SMN2 (0.44) HTTLMNANPC1RAB9AF10
SCHEMBL8264033 0.81 SMN1; SMN2 (0.44) HTTLMNANPC1RAB9AF10
SCHEMBL8262955 0.80 F10 (0.45) HTTLMNANPC1RAB9AF10
SCHEMBL8265202 0.80 F10 (0.44) HTTLMNANPC1RAB9AF10
SCHEMBL8262977 0.80 F10 (0.47) HTTLMNANPC1RAB9AF10
SCHEMBL8264048 0.80 F10 (0.44) HTTLMNANPC1RAB9AF10
SCHEMBL8263575 0.79 MEN1 (0.44) LMNANPC1RAB9AF10KMT2A

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