SCHEMBL15528796

SCHEMBL15528796

CC(C)(C)OC(=O)NNc1ccc([N+](=O)[O-])nc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
GAA P10253 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
ALOX5 P09917 1/20 0.41
PRMT1 Q99873 1/20 0.40
MAPT P10636 5/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
CYP2C19 P33261 1/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 1/20 0.36
PABPC1 P11940 1/20 0.36
NAMPT P43490 1/20 0.35
MAP4K4 O95819 1/20 0.35

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
SCHEMBL29119862 0.86 PRMT1 (0.49) MEN1KMT2APRMT1CYP2C19POLB
SCHEMBL18650610 0.80 BCHE (0.43) MEN1KMT2APRMT1MAPT
SCHEMBL27743755 0.79 GAA (0.46) MEN1KMT2AGAANPC1RAB9A
SCHEMBL22770010 0.79 GAA (0.46) MEN1KMT2AGAANPC1RAB9A
SCHEMBL8192075 0.79 ALDH1A1 (0.51) MEN1KMT2AGAANPC1ALOX5
SCHEMBL15528457 0.79 MAPT (0.40) MEN1KMT2AGAANPC1RAB9A
SCHEMBL15600325 0.78 GAA (0.43) MEN1KMT2AGAANPC1RAB9A
SCHEMBL27707038 0.78 GAA (0.45) MEN1KMT2AGAANPC1RAB9A
SCHEMBL18654067 0.78 GAA (0.45) MEN1KMT2AGAANPC1RAB9A
SCHEMBL1478008 0.78 PRMT1 (0.47) MEN1KMT2ANPC1RAB9APRMT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2844656-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS Lupin Limited (IN) 2015-03-11 EP disclosed
WO-2013164773-A1 SUBSTITUTED PYRAZOLE COMPOUNDS AS CRAC MODULATORS LUPIN LIMITED (IN) 2013-11-07 WO disclosed