SCHEMBL31463143

SCHEMBL31463143

N#Cc1cc(C#N)cc(-c2nc(-c3ccccc3)nc(-c3ccc(Cl)cc3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ADORA2A P29274 1/20 0.48
▸ ADORA1 P30542 1/20 0.48
▸ ABCG2 Q9UNQ0 6/20 0.48
▸ ABCB1 P08183 4/20 0.48
▸ SQOR Q9Y6N5 1/20 0.46
▸ CYP1A2 P05177 2/20 0.45
▸ NR1H2 P55055 2/20 0.45
▸ NR1H3 Q13133 2/20 0.45
▸ LMNA P02545 3/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ TSHR P16473 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45

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
SCHEMBL20391685 0.90 GRM5 (0.49) ADORA2AADORA1ABCG2ABCB1CYP1A2
SCHEMBL22073476 0.90 ABCG2 (0.54) NPSR1HPGDADORA2AADORA1ABCG2
SCHEMBL31612415 0.90 ABCG2 (0.54) NPSR1HPGDADORA2AADORA1ABCG2
SCHEMBL27220666 0.89 ABCG2 (0.56) HPGDADORA2AADORA1ABCG2ABCB1
SCHEMBL31463119 0.88 ABCG2 (0.53) NPSR1HPGDADORA2AADORA1ABCG2
SCHEMBL30040662 0.88 CYP1A2 (0.53) NPSR1HPGDADORA2AADORA1ABCG2
SCHEMBL27369180 0.88 CYP1A2 (0.53) NPSR1HPGDADORA2AADORA1ABCG2
SCHEMBL23384084 0.88 ABCG2 (0.54) HPGDADORA2AADORA1ABCG2ABCB1
SCHEMBL31602543 0.85 ABCG2 (0.47) NPSR1HPGDABCG2ABCB1CYP1A2
SCHEMBL30832032 0.84 ABCG2 (0.50) NPSR1HPGDADORA2AADORA1ABCG2

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
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