SCHEMBL8564450

SCHEMBL8564450

Nc1cncc(Cc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
MGMT P16455 2/20 0.41
LMNA P02545 3/20 0.40
HPGD P15428 1/20 0.40
CYP19A1 P11511 3/20 0.38
CYP11B1 P15538 2/20 0.38
CYP11B2 P19099 2/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 1/20 0.37
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DHFR P00374 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA13 Q8N1Q1 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
SCHEMBL3476385 0.80 HTR2A (0.41) MAPTHTTMGMTLMNAHPGD
SCHEMBL8564427 0.76 ALDH1A1 (0.38) MAPTHTTMGMTLMNAHPGD
SCHEMBL8566312 0.75 MAPT (0.53) MAPTHTTLMNAHPGDMAPK1
SCHEMBL8566919 0.75 MGMT (0.53) MAPTHTTMGMTCYP19A1CYP11B1
SCHEMBL8568938 0.75 GSTP1 (0.49) MAPTHTTMGMTLMNAHPGD
SCHEMBL6155901 0.75 MAPT (0.40) MAPTHTTMGMTLMNAHPGD
SCHEMBL28238100 0.75 HTT (0.49) MAPTHTTMGMTLMNAHPGD
SCHEMBL8562255 0.74 ALDH1A1 (0.51) MAPTHTTMGMTLMNAHPGD
SCHEMBL8568707 0.74 CES2 (0.39) MAPTHTTMGMTLMNAALDH1A1
SCHEMBL8566844 0.74 MEN1 (0.40) MAPTHTTLMNAHPGDALDH1A1

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