SCHEMBL8264453

SCHEMBL8264453

CN(C)C(=N)c1ccc(NC(=O)C(NC(=O)Nc2ccc(Cl)cc2)c2ccccc2Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.46
MEN1 O00255 6/20 0.40
KMT2A Q03164 6/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
NLRP1 Q9C000 1/20 0.40
CNR1 P21554 3/20 0.40
UTS2R Q9UKP6 2/20 0.40
GAA P10253 2/20 0.39
ATM Q13315 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
TSHR P16473 1/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 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
SCHEMBL8262955 0.91 F10 (0.45) F10MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8264048 0.90 F10 (0.44) F10MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8265202 0.90 F10 (0.44) F10MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8262977 0.90 F10 (0.47) F10MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8263575 0.89 MEN1 (0.44) F10MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8263562 0.87 F7 (0.48) F10MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8265491 0.81 HTT (0.47) F10MEN1KMT2ANPC1SMN1; SMN2
SCHEMBL8264058 0.81 MAPT (0.45) F10NPC1SMN1; SMN2MAPTRAB9A
SCHEMBL8262945 0.77 MAPT (0.47) F10MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL3563025 0.76 CNR1 (0.55) MEN1KMT2ANPC1SMN1; 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