SCHEMBL8561844

SCHEMBL8561844

CC(=O)c1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.41
HTT P42858 4/20 0.41
KDM4E B2RXH2 1/20 0.41
MITF O75030 1/20 0.41
LMNA P02545 6/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NOD2 Q9HC29 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.37
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
NAPRT Q6XQN6 1/20 0.36
PRMT1 Q99873 1/20 0.35

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
SCHEMBL8567191 0.86 NAPRT (0.50) MAPTHTTKDM4EMITFLMNA
SCHEMBL8563215 0.85 KMT2A (0.42) MAPTHTTKDM4EMITFLMNA
SCHEMBL30590420 0.81 KMT2A (0.38) MAPTLMNASMN1; SMN2KMT2AMAPK1
SCHEMBL8597037 0.77 FAAH (0.41) MAPTHTTLMNAKMT2AALDH1A1
SCHEMBL8563829 0.77 MAPK1 (0.37) MAPTHTTKDM4EKMT2AMAPK1
SCHEMBL8565505 0.75 MAPT (0.45) MAPTHTTKDM4EMITFLMNA
SCHEMBL204345 0.75 NOS2 (0.50) MAPTHTTKDM4EMITFLMNA
SCHEMBL29674727 0.75 NOS2 (0.50) MAPTHTTKDM4EMITFLMNA
SCHEMBL8562600 0.75 LMNA (0.47) MAPTHTTKDM4EMITFLMNA
SCHEMBL30898769 0.74 NOS3 (0.48) SMN1; SMN2ALDH1A1NAPRT

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