SCHEMBL20836643

SCHEMBL20836643

CC(=O)c1sc(-c2cccs2)nc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 13/20 0.60
ALDH1A1 P00352 6/20 0.57
GAA P10253 2/20 0.55
TRPM8 Q7Z2W7 2/20 0.52
MAPT P10636 4/20 0.48
KMT2A Q03164 4/20 0.48
RAB9A P51151 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
MCL1 Q07820 1/20 0.48
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GLA P06280 1/20 0.47
HTT P42858 1/20 0.45
NLRP1 Q9C000 1/20 0.45
NPC1 O15118 2/20 0.44
TSHR P16473 1/20 0.42
MAPK1 P28482 2/20 0.42
HSD17B10 Q99714 2/20 0.42

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
SCHEMBL288141 0.84 KDM4E (0.78) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL17374796 0.84 KDM4E (0.56) KDM4EALDH1A1GAATRPM8RAB9A
SCHEMBL17374827 0.82 TRPM8 (0.58) KDM4EALDH1A1GAATRPM8RAB9A
SCHEMBL17374800 0.81 TRPM8 (0.57) KDM4EALDH1A1GAATRPM8RAB9A
SCHEMBL17374817 0.79 TRPM8 (0.64) KDM4EALDH1A1GAATRPM8MAPT
SCHEMBL9629249 0.77 KDM4E (0.54) KDM4EALDH1A1GAARAB9AL3MBTL1
SCHEMBL3418775 0.75 KDM4E (1.00) KDM4EALDH1A1GAAKMT2ARAB9A
SCHEMBL3059795 0.74 KDM4E (0.76) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL23792544 0.71 KDM4E (0.73) KDM4EALDH1A1GAAMAPTKMT2A
SCHEMBL298290 0.71 KDM4E (1.00) KDM4EALDH1A1GAAMAPTRAB9A

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-3157918-B1 2-ARYL-4-HYDROXY-1,3-THIAZOLE DERIVATIVES USEFUL AS TRPM8-INHIBITORS IN TREATMENT OF NEURALGIA, PAIN, COPD AND ASTHMA. DOMPE FARM SPA (IT) 2019-03-27 EP claimed