SCHEMBL21687015

SCHEMBL21687015

C1=Cc2c(c(-c3ccc4c(c3)sc3ccccc34)c3ccccc3c2-c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ GPR3 P46089 1/20 0.33
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ LIMK1 P53667 1/20 0.30
▸ PTPN1 P18031 2/20 0.30
▸ FABP4 P15090 1/20 0.30
▸ FABP5 Q01469 1/20 0.30
▸ ALOX5 P09917 1/20 0.30
▸ PIM3 Q86V86 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
SCHEMBL21587161 0.90 ALDH1A1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL22293524 0.89 PIM3 (0.35) MEN1KMT2ALIMK1PTPN1ALOX5
SCHEMBL23719569 0.88 ALOX5 (0.40) ALOX5
SCHEMBL23472983 0.87 ALOX5 (0.30) ALOX5
SCHEMBL25744692 0.86 PIM3 (0.30) PIM3
SCHEMBL21687003 0.85 ALDH1A1 (0.32) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21587189 0.84 ALDH1A1 (0.33) ALDH1A1MAPTHPGDRAB9ASMN1; SMN2
SCHEMBL21587198 0.84 LIMK1 (0.31) LIMK1
SCHEMBL23719950 0.83 — —
SCHEMBL23472790 0.83 — —

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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