SCHEMBL8132086

SCHEMBL8132086

O=[N+]([O-])c1ccc(-c2nc3cc(-c4ccc(Cl)cc4)ccc3[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 9/20 0.55
▸ RAB9A P51151 8/20 0.55
▸ MAPT P10636 7/20 0.55
▸ NPC1 O15118 7/20 0.55
▸ SMN1; SMN2 Q16637 6/20 0.55
▸ HTT P42858 4/20 0.55
▸ MEN1 O00255 4/20 0.55
▸ KMT2A Q03164 4/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ HPGD P15428 3/20 0.55
▸ LMNA P02545 1/20 0.55
▸ MMP2 P08253 4/20 0.44
▸ MMP9 P14780 4/20 0.44
▸ MMP8 P22894 4/20 0.44
▸ MMP13 P45452 3/20 0.44
▸ CASP3 P42574 2/20 0.44
▸ SENP8 Q96LD8 2/20 0.44
▸ SENP7 Q9BQF6 2/20 0.44
▸ SENP6 Q9GZR1 2/20 0.44
▸ CHEK2 O96017 3/20 0.43

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
SCHEMBL8132089 0.90 NPBWR1 (0.65) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL4670013 0.89 NPBWR1 (0.56) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL7659219 0.82 MMP13 (0.57) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL9033307 0.79 ALDH1A1 (0.61) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL3193088 0.79 NPBWR1 (0.80) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL2361694 0.79 NPBWR1 (0.47) NPBWR1RAB9AMAPTNPC1HTT
SCHEMBL5758635 0.76 NPBWR1 (0.71) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL20982681 0.76 NPC1 (0.73) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL8130390 0.75 ALDH1A1 (0.54) NPBWR1RAB9AMAPTNPC1SMN1; SMN2
SCHEMBL7659225 0.74 MMP13 (0.72) NPBWR1RAB9AMAPTNPC1SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1054870-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2000-11-29 — — EP disclosed
WO-1999041241-A1 HETEROCYCLIC TOPOISOMERASE POISONS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 1999-08-19 — — WO disclosed
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