SCHEMBL27908151

SCHEMBL27908151

NC(=O)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
MAPT P10636 8/20 0.64
RAB9A P51151 6/20 0.58
NPC1 O15118 3/20 0.56
LMNA P02545 3/20 0.54
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
POLB P06746 1/20 0.51
AR P10275 1/20 0.49
CASP1 P29466 1/20 0.49
C1S P09871 1/20 0.48
GFER P55789 1/20 0.48
TSHR P16473 1/20 0.47

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
SCHEMBL1756267 0.87 MAPT (0.61) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL7444589 0.83 CSNK2A1 (0.59) ALDH1A1SMN1; SMN2MAPTRAB9ALMNA
SCHEMBL1435582 0.80 RAB9A (0.55) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL1068291 0.80 MAPT (0.97) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL6687941 0.80 LTA4H (0.61) ALDH1A1SMN1; SMN2MAPTLMNAMEN1
SCHEMBL1067495 0.79 MAPT (0.55) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL1756326 0.79 RAB9A (0.63) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL11491739 0.78 MAPT (0.67) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL4640043 0.78 ALOX5 (0.59) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1
SCHEMBL7437902 0.78 LMNA (0.61) ALDH1A1SMN1; SMN2MAPTRAB9ANPC1

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-102947280-A Carboxy-oxazole or thiazole compounds as DGAT-1 inhibitors useful for the treatment of obesity PIRAMAL LIFE SCIENCES LTD 2013-02-27 CN disclosed