SCHEMBL9501995

SCHEMBL9501995

NNc1nc(Cl)c(CC(=O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 13/20 0.41
MAPT P10636 5/20 0.41
KMT2A Q03164 4/20 0.41
GAA P10253 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
PLA2G1B P04054 1/20 0.38
ATG4B Q9Y4P1 1/20 0.38
CYP1A2 P05177 1/20 0.36

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
SCHEMBL31416723 0.67 MAPT (0.35) PTGDR2MAPTKMT2AGAAALDH1A1
SCHEMBL24062854 0.62 ALDH1A1 (0.49) MAPTKMT2AALDH1A1MEN1POLB
SCHEMBL11150044 0.62 ALDH1A1 (0.53) PTGDR2MAPTKMT2AGAAALDH1A1
SCHEMBL6541762 0.62 CYP1A2 (0.39) PTGDR2KMT2AALDH1A1MEN1KDM4E
SCHEMBL16908956 0.61 ITGB3 (0.52) PTGDR2MAPTKMT2AGAAALDH1A1
SCHEMBL7088366 0.61 PTGDR2 (0.35) PTGDR2MAPTKMT2AGAAALDH1A1
SCHEMBL27699220 0.60 PTGDR2 (0.41) PTGDR2MAPTKMT2AGAAALDH1A1
SCHEMBL27745508 0.60 GABRA5 (0.36) PTGDR2MAPTKMT2AGAAALDH1A1
SCHEMBL15740329 0.59 CYP1A2 (0.56) PTGDR2MAPTKMT2AALDH1A1MEN1
SCHEMBL9505628 0.59 SMN1; SMN2 (0.53) MAPTKMT2AGAAALDH1A1MEN1

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
EP-0316731-B1 AZO DYES FROM 2-HYDRAZINOTHIAZOLE, THEIR USE IN DYEING AND PRINTING FIBRE MATERIALS, AND IN SUBLIMATION TRANSFER PRINTING BAYER AG (DE) 1993-05-19 EP disclosed