SCHEMBL14966296

SCHEMBL14966296

O=c1c2cc([N+](=O)[O-])ccc2cnn1-c1cccc(F)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
POLB P06746 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
G6PD P11413 1/20 0.43
TLR9 Q9NR96 1/20 0.43
PMM2 O15305 1/20 0.42
MPI P34949 1/20 0.42
PHOSPHO1 Q8TCT1 1/20 0.42
MAPT P10636 7/20 0.42
HPGD P15428 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2C19 P33261 2/20 0.42
GFER P55789 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2D6 P10635 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 0.86 SMN1; SMN2 (0.46) RAB9ANPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL14966484 0.85 KEAP1 (0.46) RAB9ANPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL14965912 0.81 SMN1; SMN2 (0.51) RAB9ANPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL14966265 0.81 KMT2A (0.42) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL14966104 0.80 SMN1; SMN2 (0.47) RAB9ANPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL29480967 0.79 NPC1 (0.67) RAB9ANPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL22552282 0.79 NPC1 (0.67) RAB9ANPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL14965987 0.79 NPC1 (0.59) RAB9ANPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL14966623 0.79 NPC1 (0.44) RAB9ANPC1ALDH1A1POLBSMN1; SMN2
SCHEMBL14965892 0.76 NPC1 (0.46) RAB9ANPC1ALDH1A1POLBSMN1; SMN2

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