SCHEMBL28529066

SCHEMBL28529066

NC(=S)Nc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
ALDH1A1 P00352 3/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
EGFR P00533 2/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 1/20 0.50
GPR35 Q9HC97 1/20 0.50
ALDH5A1 P51649 1/20 0.50
ABAT P80404 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
MAPT P10636 4/20 0.46
HTT P42858 2/20 0.46
GAA P10253 1/20 0.46

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
SCHEMBL27761089 0.85 MAPK1 (0.54) MAPK1L3MBTL1ALOX15HSD17B10ALDH1A1
SCHEMBL14662373 0.83 PPIA (0.66) MAPK1ALDH1A1HPGDSMN1; SMN2TSHR
Nitric Acid SCHEMBL27571319 0.81 MAPK1 (0.50) MAPK1L3MBTL1ALOX15HSD17B10ALDH1A1
Nitric Acid SCHEMBL6162457 0.81 MAPK1 (0.50) MAPK1L3MBTL1ALOX15HSD17B10ALDH1A1
SCHEMBL4353650 0.80 MAPT (0.63) MAPK1HSD17B10ALDH1A1HPGDSMN1; SMN2
SCHEMBL16471129 0.80 MEN1 (0.46) MAPK1ALOX15ALDH1A1HPGDSMN1; SMN2
SCHEMBL6975312 0.80 MAPT (0.54) MAPK1L3MBTL1ALOX15HSD17B10ALDH1A1
SCHEMBL6975308 0.80 MAPT (0.54) MAPK1L3MBTL1ALOX15HSD17B10ALDH1A1
SCHEMBL28717653 0.79 PPIA (0.55) MAPK1ALDH1A1HPGDSMN1; SMN2TSHR
SCHEMBL29654264 0.79 PPIA (0.55) MAPK1ALDH1A1HPGDSMN1; SMN2TSHR

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-107674040-B Method for converting febuxostat impurities into febuxostat 天津力生制药股份有限公司 2021-02-19 CN disclosed