SCHEMBL8564287

SCHEMBL8564287

Nc1ccnc(OCc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGMT P16455 9/20 0.61
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
PIN1 Q13526 2/20 0.48
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
HTT P42858 1/20 0.42
CNR1 P21554 1/20 0.42
ACHE P22303 1/20 0.42
CNR2 P34972 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42
CDK2 P24941 1/20 0.42
CCNA1 P78396 1/20 0.42
LMNA P02545 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
SCHEMBL3591208 0.83 MGMT (0.54) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL30648686 0.83 MGMT (0.54) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL1843397 0.83 MGMT (0.54) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL14027831 0.83 MGMT (0.54) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL1840400 0.82 MGMT (0.53) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL6356857 0.80 MGMT (0.69) MGMTHTTLMNA
SCHEMBL26640374 0.80 MGMT (0.51) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL3586604 0.80 MGMT (0.51) MGMTMEN1KMT2ANPC1RAB9A
SCHEMBL26640090 0.79 MGMT (0.50) MGMTMEN1KMT2ANPC1RAB9A
Pyrimidine SCHEMBL6431067 0.79 MGMT (0.63) MGMTHTTLMNA

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