SCHEMBL9562385

SCHEMBL9562385

CCOC(=O)/C(=C/N(C)C)C(=O)c1c(F)cc(Cl)c(F)c1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.37
MAPT P10636 3/20 0.36
CYP2C9 P11712 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
CYP11B1 P15538 8/20 0.35
CYP11B2 P19099 6/20 0.35
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
GPR35 Q9HC97 2/20 0.33
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL9211514 1.00 HPGD (0.37) HPGDMAPTCYP2C9MEN1KMT2A
SCHEMBL8740982 0.85 NPSR1 (0.38) HPGDMAPTCYP2C9MEN1KMT2A
SCHEMBL8740981 0.84 MAPT (0.37) HPGDMAPTCYP2C9MEN1KMT2A
SCHEMBL6215109 0.84 MAPT (0.37) HPGDMAPTCYP2C9MEN1KMT2A
SCHEMBL9562415 0.81 CYP2C9 (0.40) HPGDMAPTCYP2C9MEN1KMT2A
SCHEMBL9212344 0.81 CYP2C9 (0.40) HPGDMAPTCYP2C9MEN1KMT2A
SCHEMBL9097045 0.79 CYP2C9 (0.44) HPGDMAPTCYP2C9MEN1KMT2A
SCHEMBL4567537 0.79 CYP2C9 (0.44) HPGDMAPTCYP2C9MEN1KMT2A
SCHEMBL9097039 0.79 CYP2C9 (0.44) HPGDMAPTCYP2C9MEN1KMT2A
SCHEMBL4659563 0.79 CYP11B1 (0.39) HPGDMAPTCYP2C9MEN1KMT2A

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-5182401-A Bactericide intermediate BAYER AKTIENGESELLSCHAFT (DE) 1993-01-26 US disclosed