SCHEMBL25847299

SCHEMBL25847299

c1ccc2c(c1)Sc1c(-c3ccc4c(c3)-c3ccccc3C43c4ccccc4-c4c3ccc3ccccc43)ccc3cccc-2c13

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.31
ALDH1A1 P00352 1/20 0.30
TP53 P04637 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
CASP7 P55210 1/20 0.30
HIF1A Q16665 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL25862214 0.96 ANPEP (0.31) ANPEPALDH1A1TP53HPGDTSHR
SCHEMBL25847305 0.92 ALDH1A1 (0.35) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL25862216 0.92 ANPEP (0.30) ANPEP
SCHEMBL25847198 0.90 PDK2 (0.31) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL25846997 0.90 TYMS (0.33)
SCHEMBL25847194 0.90 ALDH1A1 (0.33) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL25845476 0.88 ANPEP (0.31) ANPEP
SCHEMBL25847304 0.88 ALDH1A1 (0.38) ALDH1A1TP53HPGDTSHRMAPK1
SCHEMBL25847303 0.88 DNMT1 (0.35) ANPEPALDH1A1TP53HPGDTSHR
SCHEMBL25847199 0.87 DNMT1 (0.31) ANPEP

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-2023120714-A1 COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE 出光興産株式会社 2023-06-29 WO disclosed