SCHEMBL20709042

SCHEMBL20709042

BrC1=CC=C(N(c2ccc(Br)cc2)c2ccc3c(c2)CC3)CC1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HSD17B3 P37058 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MELK Q14680 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
SCHEMBL18884665 0.87 CYP2A6 (0.32) —
SCHEMBL17841776 0.82 PNMT (0.37) HSD17B3TDP1L3MBTL1MELK
SCHEMBL2607597 0.82 PNMT (0.37) HSD17B3TDP1L3MBTL1MELK
SCHEMBL29521410 0.82 PNMT (0.37) HSD17B3TDP1L3MBTL1MELK
SCHEMBL14506989 0.82 PNMT (0.37) HSD17B3TDP1L3MBTL1MELK
SCHEMBL17961923 0.79 ALDH1A1 (0.39) HSD17B3TDP1L3MBTL1MELK
SCHEMBL14608732 0.75 ALDH1A1 (0.35) TDP1L3MBTL1
SCHEMBL14226932 0.74 ALDH1A1 (0.45) HSD17B3L3MBTL1MELK
SCHEMBL26429213 0.71 CYP11B1 (0.36) HSD17B3TDP1L3MBTL1MELK
SCHEMBL20320243 0.70 TDP2 (0.39) HSD17B3TDP1L3MBTL1MELK

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
EP-3023477-B1 COMPOSITION, AND LIGHT-EMITTING ELEMENT USING SAME SUMITOMO CHEMICAL CO (JP) 2019-02-06 — — EP disclosed
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