SCHEMBL8567714

SCHEMBL8567714

Nc1c(OCc2ccccc2)nc2ccccc2c1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGMT P16455 9/20 0.61
LMNA P02545 2/20 0.50
PIN1 Q13526 2/20 0.48
PDE5A O76074 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ELANE P08246 1/20 0.43
THRB P10828 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

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
SCHEMBL311200 0.90 MGMT (0.64) MGMTLMNAPIN1PDE5AL3MBTL1
SCHEMBL311607 0.83 MGMT (0.59) MGMTLMNAPIN1PDE5AL3MBTL1
SCHEMBL8563177 0.82 TSHR (0.48) MGMTLMNA
SCHEMBL311450 0.82 MGMT (0.57) MGMTLMNAPIN1PDE5AL3MBTL1
SCHEMBL8600045 0.81 TLR8 (0.42) MGMTLMNAL3MBTL1CNR1ACHE
SCHEMBL311056 0.80 MGMT (0.59) MGMTLMNAPIN1L3MBTL1THRB
SCHEMBL1232862 0.80 L3MBTL1 (0.57) MGMTLMNAPIN1PDE5AL3MBTL1
SCHEMBL8566311 0.79 MGMT (0.61) MGMTLMNAPIN1ELANE
SCHEMBL8565786 0.78 SMN1; SMN2 (0.39) MGMTLMNAACHE
SCHEMBL8568326 0.78 MGMT (0.44) MGMTLMNAPIN1ELANE

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