SCHEMBL11719688

SCHEMBL11719688

COc1ccc2[nH]c(-c3ncc([N+](=O)[O-])n3C)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 5/20 0.45
▸ MAPT P10636 4/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ LMNA P02545 3/20 0.45
▸ NFKB1 P19838 2/20 0.45
▸ NFKB2 Q00653 2/20 0.45
▸ RELA Q04206 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ STAT1 P42224 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPBWR1 P48145 1/20 0.45
▸ SAE1 Q9UBE0 1/20 0.45
▸ UBA2 Q9UBT2 1/20 0.45
▸ AMY1A P0DUB6 2/20 0.43
▸ CTSV O60911 1/20 0.38
▸ CTSL P07711 1/20 0.38

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
SCHEMBL11719699 0.91 NPC1 (0.53) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11725726 0.86 MMP2 (0.45) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11722849 0.85 ALDH1A1 (0.49) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11719369 0.84 NPBWR1 (0.45) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11727710 0.81 CHEK2 (0.42) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11724421 0.81 GUSB (0.46) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11725236 0.81 MMP2 (0.51) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11721837 0.79 NPBWR1 (0.41) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11725733 0.79 MMP2 (0.57) NPC1MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL11722858 0.78 NPBWR1 (0.59) NPC1MAPTRAB9ASMN1; SMN2MEN1

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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