SCHEMBL11548182

SCHEMBL11548182

CN(C)C(=S)NNc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.52
GAA P10253 4/20 0.52
ALOX5 P09917 2/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
MASP2 O00187 1/20 0.47
ALDH1A1 P00352 7/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPK1 P28482 2/20 0.46
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HIF1A Q16665 1/20 0.46
KDM4E B2RXH2 1/20 0.44
CTSD P07339 1/20 0.44
PTGS2 P35354 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
NOX1 Q9Y5S8 1/20 0.43

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
SCHEMBL31311316 0.79 GAA (0.56) MAPTGAAALOX5CYP3A4TSHR
SCHEMBL23618280 0.78 ALDH1A1 (0.61) MAPTGAACYP3A4TSHRMASP2
SCHEMBL5448016 0.78 ALDH1A1 (0.61) MAPTGAACYP3A4TSHRMASP2
SCHEMBL10949256 0.75 ALOX5 (0.61) GAAALOX5CYP3A4TSHRALDH1A1
SCHEMBL2885482 0.75 GAA (0.67) MAPTGAAALOX5CYP3A4TSHR
SCHEMBL3635635 0.75 GAA (0.55) MAPTGAAALOX5CYP3A4TSHR
Methyl Alcohol SCHEMBL28274485 0.72 ALDH1A1 (0.61) MAPTGAAALOX5CYP3A4TSHR
SCHEMBL10348335 0.72 GAA (0.63) MAPTGAAALOX5CYP3A4TSHR
SCHEMBL163118 0.71 ALDH1A1 (0.61) MAPTGAAALOX5CYP3A4TSHR
SCHEMBL31311171 0.71 PHGDH (0.52) MAPTGAAALOX5CYP3A4TSHR

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
US-4177072-A HYDROPHILIC AND OLEOPHILIC AREAS FUJI PHOTO FILM CO., LTD. (JP) 1979-12-04 US claimed
US-4177072-A HYDROPHILIC AND OLEOPHILIC AREAS FUJI PHOTO FILM CO., LTD. (JP) 1979-12-04 US disclosed