SCHEMBL4646660

SCHEMBL4646660

O=C(/C=C/SSc1ccc(C(F)(F)F)cc1)Nc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.48
ALDH1A1 P00352 5/20 0.48
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
TGM2 P21980 1/20 0.48
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
KDM4E B2RXH2 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
TRPV1 Q8NER1 1/20 0.45
MAPT P10636 4/20 0.44
LMNA P02545 4/20 0.44
PKM P14618 2/20 0.44
HTT P42858 2/20 0.44
TRPA1 O75762 1/20 0.43
TRPM8 Q7Z2W7 1/20 0.43
EGFR P00533 1/20 0.43

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
SCHEMBL4686973 0.86 MMP1 (0.53) MAOBALDH1A1RAB9ANPC1TGM2
SCHEMBL4645364 0.81 TGM2 (0.54) MAOBALDH1A1RAB9ANPC1TGM2
SCHEMBL4647889 0.77 MMP1 (0.58) MAOBALDH1A1RAB9ANPC1TGM2
SCHEMBL15442352 0.75 ALDH1A1 (0.60) MAOBALDH1A1RAB9AKMT2AMEN1
SCHEMBL15442351 0.75 ALDH1A1 (0.60) MAOBALDH1A1RAB9AKMT2AMEN1
SCHEMBL4647264 0.75 NMT1 (0.57) ALDH1A1RAB9ANPC1TGM2KMT2A
SCHEMBL28129932 0.73 MAOB (0.76) MAOBKMT2AMEN1TRPV1MAPT
SCHEMBL13174972 0.72 ALDH1A1 (0.68) MAOBALDH1A1TGM2KMT2AMEN1
SCHEMBL4646521 0.71 MAPT (0.57) MAOBALDH1A1RAB9ANPC1TGM2
SCHEMBL4649065 0.71 MMP1 (0.57) MAOBALDH1A1RAB9ANPC1TGM2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957459-A2 IMINOPROPENE COMPOUND AND USE THEREOF Sumitomo Chemical Company, Limited (JP) 2008-08-20 EP disclosed
WO-2007063702-A2 IMINOPROPENE COMPOUND AND USE THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-06-07 WO disclosed