SCHEMBL28867147

SCHEMBL28867147

CS(=O)(=O)c1ccc(Sc2ccccc2F)c(N)c1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.47
IDE P14735 1/20 0.47
SLC6A4 P31645 11/20 0.44
SLC6A2 P23975 9/20 0.44
PTGS2 P35354 4/20 0.41
ALDH1A1 P00352 2/20 0.41
PTGS1 P23219 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
SLC6A3 Q01959 5/20 0.39
TDP1 Q9NUW8 2/20 0.39
KDM4E B2RXH2 1/20 0.38
KIF11 P52732 1/20 0.37

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
SCHEMBL28385019 0.86 G6PD (0.61) G6PDIDESLC6A4SLC6A2PTGS2
SCHEMBL28503304 0.79 MAPT (0.56) SLC6A4SLC6A2ALDH1A1HPGDSLC6A3
SCHEMBL2969774 0.76 SLC6A4 (0.62) SLC6A4SLC6A2ALDH1A1HSD17B10SLC6A3
SCHEMBL9538632 0.75 G6PD (0.58) G6PDIDESLC6A4SLC6A2PTGS2
SCHEMBL1371008 0.73 G6PD (0.53) G6PDIDEPTGS2ALDH1A1KIF11
SCHEMBL30567146 0.73 MEN1 (0.52) SLC6A4SLC6A2ALDH1A1CYP1A2CYP2C9
SCHEMBL1341376 0.73 MEN1 (0.52) SLC6A4SLC6A2ALDH1A1CYP1A2CYP2C9
SCHEMBL11090117 0.70 MAPT (0.43) SLC6A4SLC6A2ALDH1A1CYP1A2CYP2C9
SCHEMBL221279 0.70 CA1 (0.68) G6PDIDEPTGS2ALDH1A1KIF11
SCHEMBL24220370 0.70 KDM4E (0.56) ALDH1A1HPGDTDP1KDM4E

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-109053716-A A kind of new process preparing metopimazine 暨明医药科技(苏州)有限公司 2018-12-21 CN claimed