SCHEMBL10695516

SCHEMBL10695516

COC(=O)CCSc1ccc([N+](=O)[O-])cn1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CXCR1 P25024 1/20 0.53
CXCR2 P25025 1/20 0.53
CYP2C19 P33261 2/20 0.50
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
GSTP1 P09211 1/20 0.49
GSTM2 P28161 1/20 0.49
MAPT P10636 4/20 0.46
CYP1A2 P05177 1/20 0.46
GAA P10253 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PTGS2 P35354 1/20 0.43
HPGD P15428 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
SCHEMBL3138319 0.82 MAPT (0.49) CYP2C19POLBRXFP1MAPTPKM
SCHEMBL4492921 0.80 CYP1A2 (0.54) CYP2C19POLBRXFP1GSTP1GSTM2
SCHEMBL12526399 0.78 CYP2C19 (0.50) CYP2C19POLBMAPTCYP1A2GAA
SCHEMBL3249905 0.78 ALDH1A1 (0.55) POLBRXFP1MAPTKDM4EALDH1A1
SCHEMBL25249940 0.78 CXCR2 (0.65) CXCR1CXCR2CYP2C19POLBMAPT
SCHEMBL16456689 0.78 CXCR1 (0.51) CXCR1CXCR2CYP2C19POLBRXFP1
SCHEMBL4500668 0.76 CYP2C19 (0.48) CYP2C19POLBRXFP1MAPTCYP1A2
SCHEMBL10697491 0.76 MAPT (0.61) POLBRXFP1MAPTKDM4EALDH1A1
SCHEMBL29170274 0.76 RAB9A (0.56) CYP2C19POLBMAPTCYP1A2GAA
SCHEMBL20471548 0.75 TDP1 (0.42) CYP2C19POLBRXFP1MAPTCYP1A2

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-0272533-A2 Substituted phenoxypyridines BAYER AG (DE) 1988-06-29 EP disclosed