SCHEMBL11079719

SCHEMBL11079719

Cc1c(Cl)ccc(OC(C)C=CC(=O)Nc2ccccc2)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.46
RAB9A P51151 5/20 0.46
MAOB P27338 4/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
STAT1 P42224 1/20 0.41
EGFR P00533 4/20 0.41
RORC P51449 2/20 0.40
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
MMP1 P03956 3/20 0.39
MMP2 P08253 3/20 0.39
MMP9 P14780 3/20 0.39
MAOA P21397 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 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
SCHEMBL11075362 0.92 NPC1 (0.47) NPC1RAB9AMAOBMAPTSMN1; SMN2
SCHEMBL11081516 0.89 NPC1 (0.44) NPC1RAB9AMAOBMAPTSMN1; SMN2
SCHEMBL11074044 0.85 MAOB (0.42) NPC1RAB9AMAOBMAPTSMN1; SMN2
SCHEMBL11074180 0.81 MAOB (0.46) NPC1RAB9AMAOBMAPTSMN1; SMN2
SCHEMBL11086916 0.81 MAOB (0.46) NPC1RAB9AMAOBMAPTSMN1; SMN2
SCHEMBL55118 0.79 KDM4E (0.52) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL5482698 0.79 KDM4E (0.52) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL3062871 0.79 KDM4E (0.52) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL7654105 0.79 KDM4E (0.52) MEN1KMT2AALDH1A1HTTKDM4E
SCHEMBL11076582 0.79 MAPT (0.43) NPC1RAB9AMAOBMAPTSMN1; 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-4465507-A Herbicidal acetanilides MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1984-08-14 US disclosed