SCHEMBL8132089

SCHEMBL8132089

O=[N+]([O-])c1ccc(-c2nc3ccc(-c4ccc(Cl)cc4)cc3[nH]2)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 11/20 0.65
▸ MAPT P10636 7/20 0.65
▸ RAB9A P51151 7/20 0.65
▸ NPC1 O15118 6/20 0.65
▸ SMN1; SMN2 Q16637 6/20 0.65
▸ HTT P42858 4/20 0.65
▸ MEN1 O00255 4/20 0.65
▸ KMT2A Q03164 4/20 0.65
▸ ALDH1A1 P00352 3/20 0.65
▸ HPGD P15428 2/20 0.65
▸ LMNA P02545 1/20 0.65
▸ MMP2 P08253 3/20 0.53
▸ MMP9 P14780 3/20 0.53
▸ MMP8 P22894 3/20 0.53
▸ MMP13 P45452 3/20 0.53
▸ CASP3 P42574 2/20 0.53
▸ SENP8 Q96LD8 2/20 0.53
▸ SENP7 Q9BQF6 2/20 0.53
▸ SENP6 Q9GZR1 2/20 0.53
▸ CHEK2 O96017 3/20 0.52

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
SCHEMBL8132086 0.90 NPBWR1 (0.55) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7659225 0.82 MMP13 (0.72) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2247663 0.79 NPBWR1 (1.00) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL4670013 0.79 NPBWR1 (0.56) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL31474755 0.76 NPBWR1 (0.85) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8130397 0.75 MEN1 (0.65) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7659219 0.74 MMP13 (0.57) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL20445410 0.74 KDM4E (0.68) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL7187637 0.74 ALDH1A1 (0.68) NPBWR1MAPTRAB9ANPC1SMN1; SMN2
SCHEMBL8396715 0.73 ALDH1A1 (0.81) NPBWR1MAPTRAB9ANPC1SMN1; 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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