SCHEMBL11722858

SCHEMBL11722858

Cn1c([N+](=O)[O-])cnc1-c1nc2ccc([N+](=O)[O-])cc2[nH]1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 14/20 0.59
▸ NPC1 O15118 8/20 0.59
▸ RAB9A P51151 8/20 0.59
▸ MAPT P10636 7/20 0.59
▸ SMN1; SMN2 Q16637 5/20 0.59
▸ MEN1 O00255 4/20 0.59
▸ KMT2A Q03164 4/20 0.59
▸ HTT P42858 4/20 0.59
▸ ALDH1A1 P00352 2/20 0.59
▸ NFKB1 P19838 2/20 0.59
▸ NFKB2 Q00653 2/20 0.59
▸ RELA Q04206 2/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ MMP2 P08253 2/20 0.57
▸ MMP9 P14780 2/20 0.57
▸ MMP8 P22894 2/20 0.57
▸ CASP3 P42574 2/20 0.57
▸ MMP13 P45452 2/20 0.57
▸ SENP8 Q96LD8 2/20 0.57
▸ SENP7 Q9BQF6 2/20 0.57

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
SCHEMBL11722849 0.91 ALDH1A1 (0.49) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11725733 0.89 MMP2 (0.57) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11719378 0.87 NPBWR1 (0.53) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11719699 0.85 NPC1 (0.53) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11727716 0.84 HSP90AA1 (0.53) NPBWR1NPC1RAB9AMAPTMEN1
SCHEMBL11724421 0.84 GUSB (0.46) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11725236 0.84 MMP2 (0.51) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11721837 0.82 NPBWR1 (0.41) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11725726 0.82 MMP2 (0.45) NPBWR1NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11719369 0.80 NPBWR1 (0.45) NPBWR1NPC1RAB9AMAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4053472-A MICROBIOCIDES SCHERING AKTIENGESELLSCHAFT (DT) 1977-10-11 — — US disclosed
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