SCHEMBL8190897

SCHEMBL8190897

CC(C)(C)OC(=O)Nc1cc(OCc2ccccc2)c2ccc(C#N)cc2c1Br

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.40
PPIA P62937 1/20 0.40
PTPN1 P18031 1/20 0.40
PTGER1 P34995 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP19A1 P11511 1/20 0.39
BCL2 P10415 1/20 0.39
CTSS P25774 4/20 0.39
BRD4 O60885 1/20 0.38
EGLN2 Q96KS0 2/20 0.37
EGLN1 Q9GZT9 2/20 0.37
CTSB P07858 2/20 0.37
CTSK P43235 2/20 0.37
RORC P51449 1/20 0.37
MAOB P27338 1/20 0.37
CTSL P07711 1/20 0.37

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
SCHEMBL8190988 0.89 PPIA (0.42) MRGPRX4PPIAPTPN1PTGER1CYP2C9
SCHEMBL6205852 0.85 CYP2C9 (0.46) PTGER1CYP2C9BRD4
SCHEMBL8126711 0.81 CYP19A1 (0.44) MRGPRX4PPIAPTPN1PTGER1CYP2C9
SCHEMBL31088233 0.78 CYP2C9 (0.43) MRGPRX4PTGER1CYP2C9BRD4
SCHEMBL8197532 0.78 MRGPRX4 (0.38) MRGPRX4PPIAPTGER1CYP19A1MAOB
SCHEMBL15014407 0.78 CYP2C9 (0.48) MRGPRX4PTGER1CYP2C9CYP19A1BRD4
SCHEMBL5357518 0.77 CYP2C9 (0.45) MRGPRX4PPIAPTGER1CYP2C9CYP19A1
SCHEMBL29424444 0.77 CYP2C9 (0.45) MRGPRX4PPIAPTGER1CYP2C9CYP19A1
SCHEMBL8180809 0.76 MRGPRX4 (0.36) MRGPRX4PPIAPTGER1CYP19A1MAOB
SCHEMBL22304234 0.76 CYP2C9 (0.44) MRGPRX4PTGER1CYP2C9CYP19A1BRD4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6060608-A ANTITUMOR AGENTS THE SCRIPPS RESEARCH INSTITUTE (US) 2000-05-09 US disclosed