SCHEMBL15917584

SCHEMBL15917584

O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 10/20 0.70
RAB9A P51151 10/20 0.70
MAPT P10636 8/20 0.70
SMN1; SMN2 Q16637 5/20 0.70
MEN1 O00255 6/20 0.69
KMT2A Q03164 6/20 0.69
ALDH1A1 P00352 5/20 0.69
POLB P06746 1/20 0.67
GAA P10253 1/20 0.64
F2 P00734 1/20 0.64
MITF O75030 1/20 0.62
HTT P42858 1/20 0.62
PKM P14618 1/20 0.61
KDM4E B2RXH2 1/20 0.61
DUSP3 P51452 1/20 0.58
PTPN5 P54829 1/20 0.58
PTPN11 Q06124 1/20 0.58

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
SCHEMBL15917585 1.00 NPC1 (0.70) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL16034594 0.91 NPC1 (0.69) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL16077670 0.91 NPC1 (0.69) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL12443184 0.89 ALDH1A1 (0.74) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL685193 0.89 MAPT (0.67) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL1173942 0.88 NPC1 (0.70) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL1173944 0.88 NPC1 (0.70) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL16034661 0.87 NPC1 (0.65) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL16077674 0.87 NPC1 (0.65) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL20299054 0.86 NPC1 (0.78) NPC1RAB9AMAPTSMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140221429-A1 HETEROCYCLIC SCHIFF'S BASES AS NOVEL AND NEW ANTIGLYCATION AGENTS AL-RESAYES SAUD IBRAHIM (SA) 2014-08-07 US disclosed