SCHEMBL27439715

SCHEMBL27439715

COc1cc(-c2ccc(Br)cc2)ccc1C#N

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 14/20 0.55
PGR P06401 2/20 0.55
CHEK1 O14757 1/20 0.49
KDM4E B2RXH2 1/20 0.46
USP2 O75604 1/20 0.46
ALDH1A1 P00352 1/20 0.46
S1PR1 P21453 1/20 0.43
FABP7 O15540 1/20 0.43
FABP3 P05413 1/20 0.43
FABP5 Q01469 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42

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
SCHEMBL286644 0.85 AR (0.53) ARPGRKDM4EUSP2ALDH1A1
SCHEMBL7629786 0.84 AR (0.56) ARPGRCHEK1KDM4EUSP2
SCHEMBL34471191 0.83 AR (0.55) ARPGRCHEK1KDM4EUSP2
SCHEMBL34472219 0.83 AR (0.55) ARPGRCHEK1KDM4EUSP2
SCHEMBL21963833 0.80 AR (0.74) ARPGRKDM4EUSP2ALDH1A1
SCHEMBL16158532 0.80 AR (0.52) ARPGRCHEK1KDM4EUSP2
SCHEMBL9951140 0.79 AR (0.56) ARPGRCHEK1KDM4EUSP2
SCHEMBL393816 0.78 ALDH1A1 (0.61) ARKDM4EUSP2ALDH1A1
SCHEMBL29964800 0.78 ALDH1A1 (0.61) ARKDM4EUSP2ALDH1A1
SCHEMBL20699887 0.77 PDE4A (0.53) KDM4EALDH1A1

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-2024086246-A2 2-SUBSTITUTED 3,4 A, 5, 7, 8, 8 A-HEXAHYDRO-4H-THIOP YRANO [4,3- DJPYRIMIDIN-4-ONES FOR WOUND TREATMENT Eluciderm Inc. (US) 2024-04-25 WO disclosed