Benzenethiol

Benzenethiol

SCHEMBL28845429

Sc1ccccc1.c1csc(-c2cccc3ccccc23)c1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.43
ALDH1A1 P00352 7/20 0.41
KDM4E B2RXH2 6/20 0.41
LMNA P02545 2/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
ADORA2A P29274 2/20 0.40
ATM Q13315 1/20 0.40
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 3/20 0.39
BLM P54132 1/20 0.39
HPGD P15428 6/20 0.39
TDP1 Q9NUW8 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MAOB P27338 1/20 0.39
LTA4H P09960 1/20 0.38

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
SCHEMBL73268 0.89 PIM1 (0.49) PIM1ALDH1A1KDM4ELMNAHTT
SCHEMBL7330146 0.88 PIM1 (0.48) PIM1ALDH1A1KDM4ELMNAHTT
SCHEMBL14461193 0.86 PIM1 (0.50) PIM1ALDH1A1KDM4ELMNAHTT
SCHEMBL1395241 0.81 HPRT1 (0.52) PIM1ALDH1A1KDM4ELMNAHTT
SCHEMBL7212806 0.80 KDM4E (0.50) ALDH1A1KDM4ELMNAHTTRAB9A
SCHEMBL9559476 0.78 DPP4 (0.45) PIM1ALDH1A1KDM4ELMNARAB9A
SCHEMBL28724197 0.77 PIM1 (0.43) PIM1ALDH1A1KDM4ELMNAHTT
SCHEMBL14461166 0.76 PIM1 (0.45) PIM1ALDH1A1KDM4ELMNAHTT
SCHEMBL28462222 0.76 ALDH1A1 (0.43) PIM1ALDH1A1KDM4ELMNAHTT
SCHEMBL12405295 0.76 KDM4E (0.46) ALDH1A1KDM4ELMNAHTTRAB9A

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
CN-106807952-A One kind synthesis Au25The method and Au of nanosphere25Nanosphere 中国科学院大连化学物理研究所 2017-06-09 CN claimed