SCHEMBL14966321

SCHEMBL14966321

O=c1c2cc([N+](=O)[O-])ccc2cnn1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.46
POLB P06746 4/20 0.46
NPC1 O15118 4/20 0.46
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 3/20 0.46
LMNA P02545 3/20 0.45
PTGS1 P23219 1/20 0.44
MEN1 O00255 1/20 0.43
GLA P06280 1/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
KMT2A Q03164 1/20 0.43
RELA Q04206 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
KAT2B Q92831 1/20 0.41
MIF P14174 1/20 0.41
XDH P47989 1/20 0.41

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
SCHEMBL14965987 0.87 NPC1 (0.59) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL14966296 0.86 RAB9A (0.46) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL14966623 0.86 NPC1 (0.44) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL14966265 0.84 KMT2A (0.42) SMN1; SMN2POLBALDH1A1LMNAMEN1
SCHEMBL14965892 0.84 NPC1 (0.46) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL4572853 0.80 NR3C1 (0.56) POLBALDH1A1LMNAPTGS1
SCHEMBL14966104 0.80 SMN1; SMN2 (0.47) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL14966298 0.80 SMN1; SMN2 (0.51) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL14966484 0.79 KEAP1 (0.46) SMN1; SMN2POLBNPC1RAB9AALDH1A1
SCHEMBL28766387 0.79 NPC1 (0.65) SMN1; SMN2POLBNPC1RAB9AALDH1A1

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
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed
WO-2013072825-A1 PHTALAZINONE DERIVATIVES AS MPEGS -1 INHIBITORS GLENMARK PHARMACEUTICALS S.A. (CH) 2013-05-23 WO disclosed