SCHEMBL8560906

SCHEMBL8560906

Nc1c(C=Cc2ccccc2)nc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
RAB9A P51151 6/20 0.43
NPC1 O15118 5/20 0.43
MAPT P10636 5/20 0.43
KDM4E B2RXH2 5/20 0.43
KMT2A Q03164 3/20 0.43
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
NFE2L2 Q16236 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 3/20 0.42
MAPK1 P28482 2/20 0.42
HPGD P15428 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ELANE P08246 1/20 0.41
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41

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
SCHEMBL8563097 0.86 ALDH1A1 (0.40) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL8563099 0.86 ALDH1A1 (0.40) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL8564067 0.80 EGFR (0.39) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL8564063 0.80 EGFR (0.39) RAB9ANPC1MAPTKDM4EKMT2A
SCHEMBL8562134 0.79 NFE2L2 (0.41) TAAR1RAB9ANPC1MAPTKDM4E
SCHEMBL8564301 0.79 KDM4E (0.47) RAB9AMAPTKDM4EKMT2AALDH1A1
SCHEMBL8561932 0.77 KDM4E (0.46) RAB9AMAPTKDM4EKMT2AALDH1A1
SCHEMBL8565976 0.77 NFE2L2 (0.42) TAAR1RAB9ANPC1MAPTKDM4E
SCHEMBL8565807 0.76 KDM4E (0.44) RAB9AMAPTKDM4EKMT2AALDH1A1
SCHEMBL8567685 0.76 S100A4 (0.46) RAB9AMAPTKDM4EKMT2AALDH1A1

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