SCHEMBL7656101

SCHEMBL7656101

COC(=O)c1cc(Cc2ccccc2CO)cc(-c2cccc(C#N)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
KAT6A Q92794 1/20 0.40
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 5/20 0.39
CLK4 Q9HAZ1 5/20 0.39
CYP2C19 P33261 4/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPK1 P28482 3/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
USP2 O75604 3/20 0.39
CYP2D6 P10635 3/20 0.39
LMNA P02545 1/20 0.39
CYP2C9 P11712 1/20 0.39
EGLN1 Q9GZT9 1/20 0.38
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
MMP12 P39900 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
SCHEMBL6751413 0.88 PLAU (0.47) PLAUMRGPRX4KAT6AEGLN1CYP4F2
SCHEMBL7656098 0.86 MRGPRX4 (0.45) PLAUMRGPRX4KAT6AMEN1KMT2A
SCHEMBL6753784 0.82 LOXL2 (0.53) PLAUMRGPRX4KAT6AEGLN1CYP4F2
SCHEMBL6749963 0.82 CYP4F2 (0.48) PLAUMRGPRX4KAT6AEGLN1CYP4F2
SCHEMBL7663246 0.81 MRGPRX4 (0.48) PLAUMRGPRX4KAT6AMEN1KMT2A
SCHEMBL7662548 0.81 MRGPRX4 (0.51) PLAUMRGPRX4KAT6AMEN1KMT2A
SCHEMBL7717556 0.79 PLAU (0.50) PLAUMRGPRX4KAT6AEGLN1FNTA
SCHEMBL7714047 0.78 MRGPRX4 (0.51) PLAUMRGPRX4KAT6AEGLN1
SCHEMBL7665912 0.78 MRGPRX4 (0.48) PLAUMRGPRX4ALDH1A1LMNAMMP13
SCHEMBL7822720 0.77 PLAU (0.61) PLAUMRGPRX4KAT6ALOXL2

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