SCHEMBL8566254

SCHEMBL8566254

COCCOc1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 7/20 0.39
LMNA P02545 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 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
NPC1 O15118 4/20 0.38
RAB9A P51151 3/20 0.38
RECQL P46063 1/20 0.38
HTT P42858 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MITF O75030 1/20 0.38
MGMT P16455 1/20 0.36

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
SCHEMBL14764478 0.84 MEN1 (0.54) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL29871162 0.84 MEN1 (0.54) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL8599059 0.84 CYP19A1 (0.43) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL5041183 0.82 KMT2A (0.40) IKBKBSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL8563136 0.79 IKBKB (0.45) IKBKBSMN1; SMN2KMT2AMEN1MAPT
SCHEMBL8565117 0.79 MAPT (0.39) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL5038254 0.79 CYP11B1 (0.50) SMN1; SMN2MAPTLMNANPC1RAB9A
SCHEMBL23352311 0.78 NPC1 (0.53) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL30681720 0.78 NPC1 (0.46) SMN1; SMN2KMT2AMEN1MAPTLMNA
SCHEMBL27143261 0.78 NPC1 (0.46) SMN1; SMN2KMT2AMEN1MAPTLMNA

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