SCHEMBL27775876

SCHEMBL27775876

CCCCCc1c[nH]c(C=S)n1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 2/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 1/20 0.36
PPARA Q07869 1/20 0.34
PDPK1 O15530 1/20 0.33
HCAR3 P49019 1/20 0.32
HCAR2 Q8TDS4 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
NOS2 P35228 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL27881007 0.84 KCNH2 (0.42) KCNH2ALDH1A1PPARAPDPK1HCAR3
SCHEMBL28331952 0.83 KCNH2 (0.44) KCNH2ALDH1A1PKMHPGDPPARA
SCHEMBL9535009 0.83 KCNH2 (0.44) KCNH2ALDH1A1PKMHPGDPPARA
SCHEMBL18857271 0.83 KCNH2 (0.44) KCNH2ALDH1A1PKMHPGDPPARA
Bromide SCHEMBL28554893 0.81 KCNH2 (0.43) KCNH2ALDH1A1PKMHPGDPPARA
Bromide SCHEMBL28945697 0.81 KCNH2 (0.43) KCNH2ALDH1A1PKMHPGDPPARA
Hydrochloric Acid SCHEMBL31146833 0.81 KCNH2 (0.43) KCNH2ALDH1A1PKMHPGDPPARA
Bromide SCHEMBL31146830 0.81 KCNH2 (0.43) KCNH2ALDH1A1PKMHPGDPPARA
Hydrochloric Acid SCHEMBL31146835 0.81 KCNH2 (0.43) KCNH2ALDH1A1PKMHPGDPPARA
SCHEMBL28047511 0.79 KCNH2 (0.35) KCNH2ALDH1A1HPGDPDPK1NOS2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679296-A Novel 4-phenyl-imidazole-2-thiones used as tyrosinase inhibitors, method for preparing same and use thereof in human medicine and cosmetology GALDERMA RES & DEV 2010-03-24 CN disclosed
CN-101678000-A Use of 4-phenyl-imidazole-2-thiones as tyrosinase inhibitors for preparing pharmaceutical or cosmetic compositions for treating or preventing pigment disorders GALDERMA RES & DEV 2010-03-24 CN disclosed