SCHEMBL7663246

SCHEMBL7663246

COC(=O)c1cc(COCc2ccccc2)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 2/20 0.48
KAT6A Q92794 1/20 0.47
PLAU P00749 1/20 0.46
LMNA P02545 2/20 0.45
HPGD P15428 1/20 0.45
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGER1 P34995 1/20 0.41
PPIA P62937 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.40
GPR34 Q9UPC5 1/20 0.40
XDH P47989 1/20 0.40
SLC22A12 Q96S37 1/20 0.40
HIF1A Q16665 1/20 0.40
AXL P30530 1/20 0.40

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
SCHEMBL7668689 0.89 PLAU (0.43) MRGPRX4KAT6APLAU
SCHEMBL7662548 0.89 MRGPRX4 (0.51) MRGPRX4KAT6APLAULMNAHPGD
SCHEMBL7668685 0.89 MRGPRX4 (0.45) MRGPRX4KAT6APLAU
SCHEMBL6751413 0.85 PLAU (0.47) MRGPRX4KAT6APLAULOXL2XDH
SCHEMBL7714047 0.84 MRGPRX4 (0.51) MRGPRX4KAT6APLAUGABRG2GABRB3
SCHEMBL6749963 0.84 CYP4F2 (0.48) MRGPRX4KAT6APLAULOXL2XDH
SCHEMBL6753784 0.84 LOXL2 (0.53) MRGPRX4KAT6APLAULOXL2XDH
SCHEMBL7656178 0.83 MRGPRX4 (0.42) MRGPRX4PLAU
SCHEMBL6751721 0.83 PLAU (0.41) MRGPRX4KAT6APLAU
SCHEMBL7665912 0.82 MRGPRX4 (0.48) MRGPRX4PLAULMNAGPR34

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