SCHEMBL4645364

SCHEMBL4645364

O=C(C=CSc1ccccc1)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
MAOB P27338 3/20 0.52
EPHX2 P34913 1/20 0.49
ALDH1A1 P00352 3/20 0.48
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
THRB P10828 1/20 0.46
HTT P42858 2/20 0.45
PLIN1 O60240 1/20 0.45
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
PLIN5 Q00G26 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
ABHD5 Q8WTS1 1/20 0.45
TRPA1 O75762 1/20 0.45

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
SCHEMBL4689320 0.86 TRPV1 (0.60) NPC1RAB9AEPHX2ALDH1A1HTT
SCHEMBL15442351 0.85 ALDH1A1 (0.60) RAB9AMAOBALDH1A1CA12CA1
SCHEMBL15442352 0.85 ALDH1A1 (0.60) RAB9AMAOBALDH1A1CA12CA1
SCHEMBL4648073 0.85 MAPT (0.56) TGM2NPC1RAB9AMAOBALDH1A1
SCHEMBL9277123 0.85 MAPT (0.56) TGM2NPC1RAB9AMAOBALDH1A1
SCHEMBL3986444 0.85 MAPT (0.56) TGM2NPC1RAB9AMAOBALDH1A1
SCHEMBL4647289 0.84 MMP1 (0.61) TGM2NPC1RAB9AMAOBALDH1A1
SCHEMBL3040573 0.82 ALDH1A1 (0.64) NPC1RAB9AMAOBALDH1A1HTT
SCHEMBL4646465 0.81 MAOA (0.51) TGM2NPC1RAB9AMAOBALDH1A1
SCHEMBL3035626 0.81 MMP1 (0.61) TGM2NPC1RAB9AMAOBALDH1A1

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