SCHEMBL14965892

SCHEMBL14965892

CC(C)c1ccc(-n2ncc3ccc([N+](=O)[O-])cc3c2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
NPBWR1 P48145 11/20 0.43
MCHR1 Q99705 10/20 0.43
LMNA P02545 2/20 0.43
MIF P14174 1/20 0.41
MEN1 O00255 1/20 0.40
GLA P06280 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
KMT2A Q03164 1/20 0.40
RELA Q04206 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
KAT2B Q92831 1/20 0.39

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 0.84 NPC1 (0.59) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL14966321 0.84 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL14966068 0.81 NPBWR1 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL14966623 0.81 NPC1 (0.44) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL14966025 0.77 MEN1 (0.44) POLBLMNAMEN1KMT2ACA12
SCHEMBL5324211 0.77 SMN1; SMN2 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL14966296 0.76 RAB9A (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL28766387 0.76 NPC1 (0.65) NPC1RAB9ASMN1; SMN2ALDH1A1POLB
SCHEMBL14965963 0.75 L3MBTL1 (0.50) ALDH1A1LMNAMEN1KMT2AKAT2B
SCHEMBL14966484 0.74 KEAP1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1POLB

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