SCHEMBL8568101

SCHEMBL8568101

COCC=Cc1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 7/20 0.36
LMNA P02545 5/20 0.36
HTT P42858 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MITF O75030 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
NOD2 Q9HC29 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 1/20 0.35
MGMT P16455 2/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL8568096 1.00 KMT2A (0.38) KMT2AMEN1MAPTLMNAHTT
SCHEMBL8599262 0.82 KMT2A (0.33) KMT2AMEN1MAPTLMNAHTT
SCHEMBL8599258 0.82 KMT2A (0.33) KMT2AMEN1MAPTLMNAHTT
SCHEMBL8561307 0.80 MEN1 (0.35) KMT2AMEN1MAPTLMNAHTT
SCHEMBL8561311 0.80 MEN1 (0.35) KMT2AMEN1MAPTLMNAHTT
SCHEMBL8566303 0.77 MAPT (0.40) KMT2AMEN1MAPTLMNAHTT
SCHEMBL8566306 0.77 MAPT (0.40) KMT2AMEN1MAPTLMNAHTT
SCHEMBL9995198 0.75 MAPT (0.43) KMT2AMEN1MAPTLMNAHTT
SCHEMBL5037035 0.74 NOS3 (0.43) KMT2AMEN1MAPTLMNAHTT
SCHEMBL5037038 0.74 NOS3 (0.43) KMT2AMEN1MAPTLMNAHTT

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