SCHEMBL3633389

SCHEMBL3633389

CC(C)(C)c1ccc(-c2c[nH]c(=S)[nH]2)cc1.CCCOc1cccc(-c2c[nH]c(=S)[nH]2)c1.COc1ccc(-c2c[nH]c(=S)[nH]2)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.40
KIT P10721 3/20 0.39
MAPT P10636 4/20 0.37
GAA P10253 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.36
GFER P55789 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX12 P18054 1/20 0.34
CYP2C19 P33261 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34

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
SCHEMBL3349351 0.82 KDM4E (0.49) ERN1MAPTGAAALDH1A1SMN1; SMN2
SCHEMBL639132 0.77 KDM4E (0.47) MAPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL3343223 0.75 NPC1 (0.49) MAPTGAAALDH1A1KDM4EGFER
SCHEMBL16378738 0.73 MAPT (0.53) ERN1MAPTSMN1; SMN2KDM4EMEN1
SCHEMBL640473 0.71 GAA (0.56) GAAALDH1A1KDM4EGFERMEN1
SCHEMBL3347321 0.71 KDM4E (0.58) MAPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL3342864 0.68 CYP2D6 (0.54) MAPTGAAALDH1A1SMN1; SMN2KDM4E
SCHEMBL638571 0.64 GFER (0.51) MAPTGAAALDH1A1KDM4EGFER
SCHEMBL10211503 0.63 L3MBTL1 (0.57) MAPTSMN1; SMN2KDM4EKMT2ALMNA
SCHEMBL3343847 0.63 ALDH1A1 (0.58) MAPTGAAALDH1A1KDM4EGFER

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
EP-2164486-A2 USE OF 4-PHENYL-IMIDAZOLE-2-THIONES AS TYROSINASE INHIBITORS FOR PREPARING PHARMACEUTICAL OR COSMETIC COMPOSITIONS FOR TREATING OR PREVENTING PIGMENT DISORDERS Galderma Research & Development (FR) 2010-03-24 EP claimed
WO-2008152330-A2 USE OF 4-PHENYL-IMIDAZOLE-2-THIONES AS TYROSINASE INHIBITORS FOR PREPARING PHARMACEUTICAL OR COSMETIC COMPOSITIONS FOR TREATING OR PREVENTING PIGMENT DISORDERS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 WO claimed