SCHEMBL8563136

SCHEMBL8563136

COCCOc1ccnc([N+](=O)[O-])c1N

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.45
NPC1 O15118 5/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
S1PR4 O95977 13/20 0.41
KMT2A Q03164 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CCNT1 O60563 1/20 0.38
CDK9 P50750 1/20 0.38
CDK5 Q00535 1/20 0.38
CDK5R1 Q15078 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL8601222 0.84 MAPT (0.42) NPC1RAB9ASMN1; SMN2S1PR4KMT2A
SCHEMBL8568292 0.79 ALDH1A1 (0.39) IKBKBNPC1RAB9ASMN1; SMN2S1PR4
SCHEMBL8566254 0.79 IKBKB (0.42) IKBKBNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL3142475 0.79 S1PR4 (0.63) NPC1RAB9AS1PR4KMT2ALMNA
SCHEMBL5037080 0.76 IKBKB (0.49) IKBKBCCNT1CDK9CDK5CDK5R1
SCHEMBL8566190 0.75 KMT2A (0.58) NPC1RAB9AKMT2AMAPTMEN1
SCHEMBL214555 0.75 NPC1 (0.58) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL24399163 0.73 S1PR4 (0.41) NPC1RAB9ASMN1; SMN2S1PR4KMT2A
SCHEMBL29508235 0.73 S1PR4 (0.41) NPC1RAB9ASMN1; SMN2S1PR4KMT2A
SCHEMBL5041183 0.73 KMT2A (0.40) IKBKBNPC1RAB9ASMN1; SMN2S1PR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0735025-B1 Process for producing aminonitropyridines SUMITOMO CHEMICAL CO (JP) 1998-07-01 EP disclosed
US-5648496-A AMINATION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-07-15 US disclosed
EP-0735025-A1 Process for producing aminonitropyridines SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1996-10-02 EP disclosed