SCHEMBL11084259

SCHEMBL11084259

Cc1cc(OCC(=O)Nc2cccc(C#N)c2)c(Cl)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.57
MAPT P10636 3/20 0.57
RAB9A P51151 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
NPC1 O15118 4/20 0.52
POLB P06746 1/20 0.52
KCNH2 Q12809 1/20 0.52
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.50
GBA1 P04062 1/20 0.50
HTT P42858 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 4/20 0.49
ATM Q13315 2/20 0.49
MAPK1 P28482 2/20 0.49
NFKB1 P19838 2/20 0.49
NFKB2 Q00653 2/20 0.49
RELA Q04206 2/20 0.49
TRPM4 Q8TD43 1/20 0.47
MITF O75030 1/20 0.47

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
SCHEMBL4293582 0.84 KCNH2 (0.61) ALDH1A1MAPTRAB9ANPSR1NPC1
SCHEMBL11081226 0.83 NOTUM (0.66) ALDH1A1MAPTRAB9ANPSR1NPC1
SCHEMBL11086141 0.78 NOTUM (0.66) ALDH1A1MAPTRAB9ANPSR1NPC1
SCHEMBL11078120 0.75 NPC1 (0.64) ALDH1A1MAPTRAB9ANPC1POLB
SCHEMBL6809507 0.74 SMN1; SMN2 (0.73) MAPTRAB9ANPC1KCNH2GAA
SCHEMBL2636219 0.74 KCNH2 (0.51) ALDH1A1MAPTRAB9ANPSR1NPC1
SCHEMBL4112467 0.73 MAPT (0.68) ALDH1A1MAPTRAB9ANPC1GAA
SCHEMBL11074898 0.73 NOTUM (0.61) ALDH1A1MAPTRAB9ANPSR1NPC1
SCHEMBL11076773 0.73 RAB9A (0.61) ALDH1A1MAPTRAB9ANPC1GAA
SCHEMBL321291 0.73 ALDH1A1 (0.63) ALDH1A1MAPTNPC1POLBKCNH2

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-4465507-A Herbicidal acetanilides MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1984-08-14 US disclosed