SCHEMBL11155751

SCHEMBL11155751

CC(=O)c1cc(Cl)ccc1OCC(N)=NO

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.54
RAB9A P51151 2/20 0.54
MAPT P10636 1/20 0.46
PTGDR2 Q9Y5Y4 2/20 0.46
CCR5 P51681 2/20 0.45
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 3/20 0.43
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
TSHR P16473 2/20 0.43
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL3691062 0.81 PTGDR2 (0.68) NPC1RAB9AMAPTPTGDR2TDP1
SCHEMBL220452 0.80 NPC1 (0.59) NPC1RAB9AMAPTPTGDR2KMT2A
SCHEMBL22633476 0.79 TDP1 (0.58) NPC1RAB9AMAPTTDP1LMNA
SCHEMBL13446708 0.79 NPC1 (0.54) NPC1RAB9AMAPTPTGDR2CCR5
SCHEMBL11165562 0.79 TDP1 (0.58) NPC1RAB9AMAPTTDP1LMNA
SCHEMBL11280539 0.78 NPC1 (0.61) NPC1RAB9AMAPTPTGDR2KMT2A
SCHEMBL12781079 0.77 NPC1 (0.52) NPC1RAB9AMAPTPTGDR2CCR5
SCHEMBL1714092 0.75 NPC1 (0.54) NPC1RAB9AMAPTPTGDR2KMT2A
SCHEMBL21436682 0.75 NPC1 (0.53) NPC1RAB9AMAPTPTGDR2KMT2A
SCHEMBL4212506 0.75 NPC1 (0.53) NPC1RAB9AMAPTPTGDR2KMT2A

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-4414020-A AMIDOXIMES AS SAFENING AGENTS HOECHST AG (DE) 1983-11-08 US disclosed