SCHEMBL29938647

SCHEMBL29938647

Nc1ccc(-c2cccc3c2SCc2ccccc2-3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HTR6 P50406 1/20 0.37
▸ CYP3A4 P08684 2/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ APP P05067 2/20 0.34
▸ KIT P10721 2/20 0.34
▸ KDR P35968 2/20 0.34
▸ FLT3 P36888 2/20 0.34
▸ NCOA1 Q15788 2/20 0.33
▸ NCOA3 Q9Y6Q9 2/20 0.33

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
SCHEMBL20751716 0.79 ACHE (0.47) ACHEALDH1A1KDM4ENPC1LMNA
SCHEMBL29938755 0.74 ALDH1A1 (0.41) ACHEALDH1A1KDM4ENPC1LMNA
SCHEMBL1681656 0.70 NPC1 (0.52) ACHEALDH1A1KDM4ENPC1LMNA
Benzidine SCHEMBL28084252 0.70 ALDH1A1 (0.67) ACHEALDH1A1KDM4ENPC1LMNA
Ammonia Solution, Strong SCHEMBL15158319 0.69 NPC1 (0.50) ACHEALDH1A1KDM4ENPC1LMNA
SCHEMBL9246341 0.69 HSD17B10 (0.63) ACHEALDH1A1KDM4ENPC1LMNA
Biphenyl-4-Amine SCHEMBL28200593 0.67 HSD17B10 (0.62) ACHEALDH1A1KDM4ENPC1LMNA
Fluorene SCHEMBL28257630 0.67 MAPT (0.75) ACHEALDH1A1KDM4ENPC1LMNA
SCHEMBL16787347 0.67 ALOX5 (0.47) ACHEALDH1A1MAPTCYP3A4TDP1
Benzidine SCHEMBL28228770 0.67 HSD17B10 (0.50) ACHEALDH1A1KDM4ENPC1LMNA

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-2022191256-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT AND ELECTRONIC EQUIPMENT THEREFOR 保土谷化学工業株式会社 2022-09-15 — — WO disclosed
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