SCHEMBL7659126

SCHEMBL7659126

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

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.49
PPIA P62937 2/20 0.46
SGMS2 Q8NHU3 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
ATR Q13535 2/20 0.41
PRKDC P78527 1/20 0.41
ADORA2A P29274 3/20 0.41
ADORA1 P30542 3/20 0.41
PLAU P00749 1/20 0.41
LTA4H P09960 1/20 0.40
MAPK14 Q16539 1/20 0.40
KMT2A Q03164 1/20 0.40
CLK4 Q9HAZ1 1/20 0.39
EGLN1 Q9GZT9 1/20 0.39
KAT6A Q92794 1/20 0.39
MAPT P10636 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
SCHEMBL7663227 0.85 PPIA (0.46) MRGPRX4PPIANPC1RAB9ALTA4H
SCHEMBL7664318 0.83 MRGPRX4 (0.52) MRGPRX4NPC1RAB9AATRPRKDC
SCHEMBL7714047 0.82 MRGPRX4 (0.51) MRGPRX4PLAUEGLN1KAT6A
SCHEMBL7662548 0.82 MRGPRX4 (0.51) MRGPRX4PLAUKMT2AKAT6A
SCHEMBL7660874 0.82 MRGPRX4 (0.47) MRGPRX4ATRPRKDCPLAUEGLN1
SCHEMBL6753784 0.79 LOXL2 (0.53) MRGPRX4PLAUEGLN1KAT6A
SCHEMBL7665912 0.79 MRGPRX4 (0.48) MRGPRX4NPC1RAB9APLAU
SCHEMBL6751413 0.78 PLAU (0.47) MRGPRX4PLAUEGLN1KAT6A
SCHEMBL7663246 0.78 MRGPRX4 (0.48) MRGPRX4PPIAPLAUKMT2AKAT6A
SCHEMBL7658946 0.78 MRGPRX4 (0.51) MRGPRX4PLAU

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