SCHEMBL29938755

SCHEMBL29938755

Nc1ccc(-c2ccc3c(c2)-c2ccccc2CS3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ MAPT P10636 3/20 0.41
▸ LMNA P02545 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ACHE P22303 2/20 0.40
▸ TAAR1 Q96RJ0 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPK14 Q16539 1/20 0.38
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ BLM P54132 1/20 0.36
▸ CHRM2 P08172 1/20 0.36
▸ ADRA2A P08913 1/20 0.36
▸ CYP2D6 P10635 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
SCHEMBL19673520 0.75 ALDH1A1 (0.67) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL29938647 0.74 ACHE (0.42) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL21546157 0.73 ALDH1A1 (0.55) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL216973 0.73 ACHE (0.56) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL22538093 0.73 ACHE (0.33) ACHENOTUMAKR1B1
Benzidine SCHEMBL28084252 0.72 ALDH1A1 (0.67) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL13871237 0.69 NPC1 (0.51) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
SCHEMBL4231216 0.69 MAPK14 (0.62) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
Biphenyl-4-Amine SCHEMBL28200593 0.69 HSD17B10 (0.62) ALDH1A1MAPTLMNASMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL4232797 0.68 MAPK14 (0.61) ALDH1A1MAPTLMNASMN1; SMN2KDM4E

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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