SCHEMBL23899149

SCHEMBL23899149

CCOC(=O)/C(C#N)=C/Nc1ccc([N+](=O)[O-])cc1Cl

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
KDM4E B2RXH2 6/20 0.57
LMNA P02545 4/20 0.57
KMT2A Q03164 2/20 0.57
RAB9A P51151 2/20 0.55
MAPT P10636 4/20 0.52
NPSR1 Q6W5P4 2/20 0.52
NPC1 O15118 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.52
HPGD P15428 1/20 0.52
RXFP1 Q9HBX9 1/20 0.49
DHODH Q02127 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL18375567 1.00 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL4963249 0.87 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL4960479 0.87 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL4960482 0.87 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL4963254 0.87 ALDH1A1 (0.57) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL10863313 0.86 MAPT (0.61) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL4959548 0.86 NPSR1 (0.65) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL4959550 0.86 NPSR1 (0.65) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL4960671 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAKMT2ARAB9A
SCHEMBL4960676 0.85 ALDH1A1 (0.55) ALDH1A1KDM4ELMNAKMT2ARAB9A

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
WO-2021202688-A1 PROCESS FOR PREPARING A COT INHIBITOR COMPOUND GILEAD SCIENCES, INC. (US) 2021-10-07 WO disclosed