SCHEMBL25470985

SCHEMBL25470985

c1ccc2c(c1)[nH]c1ccc(-c3cccc4oc5cc6c(cc5c34)[nH]c3ccccc36)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ GPR3 P46089 1/20 0.38
▸ KIF11 P52732 8/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ CASP3 P42574 1/20 0.37
▸ SENP7 Q9BQF6 1/20 0.37
▸ SENP6 Q9GZR1 1/20 0.37
▸ HCRTR1 O43613 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TOP2A P11388 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ GABRP O00591 1/20 0.36
▸ GABRD O14764 1/20 0.36
▸ GABRA1 P14867 1/20 0.36

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
SCHEMBL17885394 0.90 AHR (0.44) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL26055933 0.87 CASP3 (0.43) AHRALDH1A1HSD17B10GPR3KDM4E
SCHEMBL23558095 0.85 AHR (0.44) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL26055957 0.83 CDK4 (0.41) AHRKDM4EMAPTCASP3SENP7
SCHEMBL17885202 0.82 CASP3 (0.43) KDM4EMAPTCASP3SENP7SENP6
SCHEMBL17885210 0.81 CASP3 (0.45) AHRALDH1A1KDM4EMAPTCASP3
SCHEMBL31288261 0.80 AHR (0.46) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL18429999 0.79 AHR (0.52) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL29742929 0.79 AHR (0.52) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL28264576 0.79 AHR (0.52) AHRALDH1A1HSD17B10GPR3KIF11

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-2023082808-A1 TETRAAZA-FLUORANTHENE COMPOUND AND APPLICATION THEREOF 上海八亿时空先进材料有限公司 2023-05-19 — — WO disclosed
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