SCHEMBL8265202

SCHEMBL8265202

CN(C)C(=N)c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 3/20 0.44
CNR1 P21554 4/20 0.40
F7 P08709 1/20 0.39
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 3/20 0.39
HTT P42858 1/20 0.39
NLRP1 Q9C000 1/20 0.39
UTS2R Q9UKP6 2/20 0.39
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TSHR P16473 1/20 0.38
CRHR1 P34998 1/20 0.38
LMNA P02545 2/20 0.37
FPR2 P25090 1/20 0.37

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
SCHEMBL8264453 0.90 F10 (0.46) F10CNR1MEN1KMT2ASMN1; SMN2
SCHEMBL8262955 0.89 F10 (0.45) F10CNR1MEN1KMT2ASMN1; SMN2
SCHEMBL8262977 0.88 F10 (0.47) F10CNR1MEN1KMT2ASMN1; SMN2
SCHEMBL8264048 0.88 F10 (0.44) F10CNR1MEN1KMT2ASMN1; SMN2
SCHEMBL8263575 0.87 MEN1 (0.44) F10CNR1MEN1KMT2ASMN1; SMN2
SCHEMBL8263562 0.85 F7 (0.48) F10CNR1F7MEN1KMT2A
SCHEMBL8264054 0.81 F10 (0.42) F10CNR1SMN1; SMN2MAPTRAB9A
SCHEMBL8265491 0.80 HTT (0.47) F10CNR1MEN1KMT2ASMN1; SMN2
SCHEMBL3563416 0.78 FPR2 (0.57) CNR1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3570081 0.77 UTS2R (0.42) CNR1MEN1KMT2ASMN1; SMN2MAPT

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