SCHEMBL20085151

SCHEMBL20085151

C=C(C)c1cc2c(cc1C)cc(C(=O)/C(C#N)=C/N(C)C)n2I

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CYP2C9 P11712 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ RECQL P46063 1/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ CYP2C19 P33261 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
SCHEMBL20085372 0.88 HPGD (0.41) HPGDALDH1A1LMNANPSR1CYP2C9
SCHEMBL20084976 0.81 HPGD (0.38) HPGDALDH1A1LMNANPSR1CYP2C9
SCHEMBL20084345 0.80 HPGD (0.36) HPGDALDH1A1LMNANPSR1CYP2C9
SCHEMBL20084283 0.78 HPGD (0.35) HPGDALDH1A1LMNANPSR1CYP2C9
SCHEMBL20084762 0.76 HPGD (0.35) HPGDALDH1A1LMNANPSR1CYP2C9
SCHEMBL21970629 0.76 RAB9A (0.37) HPGDALDH1A1LMNANPSR1CYP2C9
SCHEMBL20084721 0.76 CYP2C9 (0.38) HPGDALDH1A1LMNANPSR1CYP2C9
SCHEMBL20084241 0.76 RAB9A (0.40) HPGDALDH1A1LMNANPSR1CYP2C9
SCHEMBL20085328 0.75 RAB9A (0.39) HPGDALDH1A1LMNANPSR1CYP2C9
SCHEMBL20084913 0.74 HPGD (0.40) HPGDALDH1A1LMNANPSR1MAPT

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
EP-3312172-A1 AMINOPYRAZOLE DERIVATIVES Chugai Seiyaku Kabushiki Kaisha (JP) 2018-04-25 — — EP disclosed
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