SCHEMBL31463137

SCHEMBL31463137

N#Cc1ccc(-c2ccc(-c3ccc(C#N)cc3)c(-c3ccc(-c4nc(-c5ccc(C#N)cc5)nc(-c5ccc(-c6ccccc6)cc5)n4)cc3)c2)cc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 13/20 0.52
ABCB1 P08183 8/20 0.52
ABCC1 P33527 3/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA5 P31644 1/20 0.47
GABRA3 P34903 1/20 0.47
MYC P01106 1/20 0.44
ALDH1A3 P47895 1/20 0.43
MAP4K4 O95819 1/20 0.43
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
SCHEMBL25872134 1.00 ABCG2 (0.52) ABCG2ABCB1ABCC1GABRA1GABRG2
SCHEMBL31463139 1.00 ABCG2 (0.52) ABCG2ABCB1ABCC1GABRA1GABRG2
SCHEMBL31643600 1.00 ABCG2 (0.52) ABCG2ABCB1ABCC1GABRA1GABRG2
SCHEMBL31463162 0.97 ABCG2 (0.52) ABCG2ABCB1ABCC1GABRA1GABRG2
SCHEMBL26591978 0.97 ABCG2 (0.52) ABCG2ABCB1ABCC1GABRA1GABRG2
SCHEMBL27369379 0.95 ABCG2 (0.54) ABCG2ABCB1ABCC1GABRA1GABRG2
SCHEMBL26276963 0.94 ABCG2 (0.48) ABCG2ABCB1ABCC1GABRA1GABRG2
SCHEMBL26276961 0.94 ABCG2 (0.48) ABCG2ABCB1ABCC1GABRA1GABRG2
SCHEMBL31463160 0.93 CYP1A2 (0.50) ABCG2ABCB1GABRA1GABRG2GABRB3
SCHEMBL31642854 0.93 ABCG2 (0.49) ABCG2ABCB1ABCC1GABRA1GABRG2

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-2025057775-A1 MATERIAL FOR PHOTOELECTRIC CONVERSION ELEMENT FOR IMAGING ELEMENT, AND IMAGING ELEMENT 東ソー株式会社 2025-03-20 WO disclosed