SCHEMBL8570524

SCHEMBL8570524

C=C(c1ccccc1)c1ccnc(N)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 5/20 0.40
KDM4E B2RXH2 1/20 0.40
MITF O75030 1/20 0.40
NOD2 Q9HC29 1/20 0.39
MGMT P16455 1/20 0.36
NPY1R P25929 1/20 0.36
CDK5 Q00535 1/20 0.36
CDK5R1 Q15078 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP3A4 P08684 1/20 0.35
POLB P06746 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
MAPK1 P28482 1/20 0.35
PRMT1 Q99873 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
SCHEMBL8564862 0.80 KDM4E (0.37) MAPTLMNAHTTKDM4EMEN1
SCHEMBL8567191 0.80 NAPRT (0.50) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL8565828 0.77 MAPT (0.39) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL8563215 0.75 KMT2A (0.42) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL8562600 0.75 LMNA (0.47) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL8568617 0.74 MAPK1 (0.38) MAPTSMN1; SMN2LMNAHTTCDK5
SCHEMBL8561844 0.74 MAPT (0.41) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL18131091 0.72 MDM2 (0.49) MAPTSMN1; SMN2LMNAHTTKDM4E
SCHEMBL8562423 0.72 RAB9A (0.52) MAPTLMNAHTTKDM4EMGMT
SCHEMBL8568952 0.72 HTT (0.52) MAPTLMNAHTTMEN1KMT2A

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