SCHEMBL21687003

SCHEMBL21687003

C1=Cc2c(c(-c3ccc(-c4ccc5c(c4)sc4ccccc45)cc3)c3ccccc3c2-c2cccc3ccccc23)CC1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ ALOX5 P09917 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31

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
SCHEMBL21687015 0.85 ALDH1A1 (0.35) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21587161 0.84 ALDH1A1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23719870 0.84 ALOX5 (0.34) ALOX5
SCHEMBL22293492 0.83 ALOX5 (0.34) ALOX5
SCHEMBL13508990 0.83 — —
SCHEMBL21587189 0.81 ALDH1A1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL18842980 0.81 ALDH1A1 (0.41) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL23719569 0.80 ALOX5 (0.40) ALOX5
SCHEMBL22293509 0.79 ALOX5 (0.40) ALOX5
SCHEMBL23472844 0.79 ALOX5 (0.38) ALOX5

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-2020027323-A1 ORGANIC ELECTROLUMINESCENT ELEMENT AND ELECTRONIC DEVICE 出光興産株式会社 2020-02-06 — — WO disclosed
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