SCHEMBL11719699

SCHEMBL11719699

COc1ccc2nc(-c3ncc([N+](=O)[O-])n3C)[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 7/20 0.53
▸ RAB9A P51151 6/20 0.53
▸ MEN1 O00255 5/20 0.53
▸ KMT2A Q03164 5/20 0.53
▸ SMN1; SMN2 Q16637 4/20 0.53
▸ HTT P42858 4/20 0.53
▸ NFKB1 P19838 3/20 0.53
▸ NFKB2 Q00653 3/20 0.53
▸ RELA Q04206 3/20 0.53
▸ LMNA P02545 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ MAPK1 P28482 2/20 0.53
▸ NPBWR1 P48145 2/20 0.53
▸ GAA P10253 1/20 0.53
▸ STAT1 P42224 1/20 0.53
▸ SAE1 Q9UBE0 1/20 0.53
▸ UBA2 Q9UBT2 1/20 0.53
▸ AMY1A P0DUB6 3/20 0.51
▸ TP53 P04637 3/20 0.48
▸ HPGD P15428 3/20 0.48

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
SCHEMBL11719688 0.91 NPC1 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11725733 0.86 MMP2 (0.57) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11722858 0.85 NPBWR1 (0.59) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11719378 0.84 NPBWR1 (0.53) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11727716 0.81 HSP90AA1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL11724421 0.81 GUSB (0.46) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11725236 0.81 MMP2 (0.51) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11721837 0.79 NPBWR1 (0.41) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11725726 0.79 MMP2 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL11722849 0.78 ALDH1A1 (0.49) NPC1RAB9AMEN1KMT2ASMN1; 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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