SCHEMBL14965987

SCHEMBL14965987

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

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.59
RAB9A P51151 4/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
MEN1 O00255 4/20 0.59
KMT2A Q03164 4/20 0.59
LMNA P02545 2/20 0.59
GLA P06280 1/20 0.59
NFKB1 P19838 1/20 0.59
NFKB2 Q00653 1/20 0.59
RELA Q04206 1/20 0.59
KAT2B Q92831 2/20 0.50
ALDH1A1 P00352 2/20 0.46
POLB P06746 2/20 0.46
PTGES O14684 1/20 0.45
MAPT P10636 3/20 0.45
AHR P35869 1/20 0.45
MCL1 Q07820 1/20 0.45
SAE1 Q9UBE0 1/20 0.45
UBA2 Q9UBT2 1/20 0.45
CA12 O43570 1/20 0.42

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
SCHEMBL14966321 0.87 SMN1; SMN2 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14966623 0.84 NPC1 (0.44) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14965892 0.84 NPC1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14966020 0.80 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14966296 0.79 RAB9A (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28766387 0.79 NPC1 (0.65) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14966484 0.76 KEAP1 (0.46) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL14965963 0.75 L3MBTL1 (0.50) MEN1KMT2ALMNAKAT2BALDH1A1
SCHEMBL14966104 0.75 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL28766400 0.75 NPC1 (1.00) NPC1RAB9ASMN1; SMN2MEN1KMT2A

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