Benzenethiol

Benzenethiol

SCHEMBL11536201

CC1(C)Sc2ccccc2C1=O.Sc1ccccc1

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.44
HSD17B10 Q99714 2/20 0.44
GAA P10253 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 2/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.35
TDP1 Q9NUW8 2/20 0.33
RAB9A P51151 2/20 0.33
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
ACHE P22303 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 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
SCHEMBL67627 0.89 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B10GAASMN1; SMN2
SCHEMBL21497496 0.67 ALDH1A1 (0.49) ALDH1A1MAPTHSD17B10GAASMN1; SMN2
SCHEMBL7050337 0.66 ALDH1A1 (0.51) ALDH1A1MAPTHSD17B10GAASMN1; SMN2
SCHEMBL21662878 0.66 ALDH1A1 (0.38) ALDH1A1MAPTHSD17B10GAASMN1; SMN2
SCHEMBL11369917 0.66 ALDH1A1 (0.47) ALDH1A1MAPTHSD17B10GAASMN1; SMN2
Anthraquinone SCHEMBL28590582 0.66 MEN1 (0.67) ALDH1A1MAPTHSD17B10SMN1; SMN2MAPK1
Phthalimide SCHEMBL28248133 0.65 GSK3B (0.71) ALDH1A1MAPTHSD17B10GAASMN1; SMN2
SCHEMBL11273116 0.64 ALDH1A1 (0.46) ALDH1A1MAPTHSD17B10GAASMN1; SMN2
SCHEMBL7745894 0.64 MEN1 (0.51) ALDH1A1MAPTHSD17B10GAASMN1; SMN2
SCHEMBL16098860 0.64 CA1 (0.43) L3MBTL1TDP1CA1CA2CA7

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
US-4154739-A ANTIALLERGEN INTERMEDIATES, FROM THIOPHENOLS AND DIHALOGENO-MALEIC ANHYDRIDES WITH CYCLIZATION USING LEWIS ACID CIBA-GEIGY CORPORATION (US) 1979-05-15 US disclosed