SCHEMBL7663227

SCHEMBL7663227

COC(=O)c1cc(COc2cccnc2N)cc(-c2cccc(C(=N)N)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.46
F2 P00734 5/20 0.45
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
LTA4H P09960 1/20 0.42
MAPK14 Q16539 1/20 0.42
KMT2A Q03164 1/20 0.41
DHFR P00374 1/20 0.41
MRGPRX1 Q96LB2 1/20 0.40
MAPT P10636 1/20 0.40
HTT P42858 1/20 0.40
MRGPRX4 Q96LA9 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39

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
SCHEMBL7659126 0.85 MRGPRX4 (0.49) PPIANPC1RAB9ALTA4HMAPK14
SCHEMBL7661640 0.83 F2 (0.44) F2NPC1RAB9ASMN1; SMN2DHFR
SCHEMBL7660455 0.82 F2 (0.46) F2MRGPRX1MRGPRX4F10PRSS1
SCHEMBL7719048 0.82 F2 (0.66) F2MRGPRX4F10PRSS1
SCHEMBL7664103 0.81 F10 (0.62) F2MRGPRX4F10PRSS1
SCHEMBL7668085 0.81 F2 (0.58) F2MRGPRX4F10
SCHEMBL7663161 0.80 MRGPRX4 (0.42) F2NPC1RAB9ASMN1; SMN2DHFR
SCHEMBL7658103 0.79 F2 (0.53) F2NPC1RAB9ASMN1; SMN2MRGPRX4
SCHEMBL7659032 0.78 PRSS1 (0.49) F2MRGPRX1F10PRSS1
SCHEMBL7664269 0.78 F2 (0.60) F2MRGPRX4F10PRSS1

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
US-6348478-B1 BLOOD COAGULATION FACTORS AND ANTICOAGULANTS TEIJIN LIMITED (JP) 2002-02-19 US disclosed
EP-1043311-A1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2000-10-11 EP disclosed