SCHEMBL4646530

SCHEMBL4646530

O=C(/C=C/Sc1ccccc1Cl)Nc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.57
NPC1 O15118 6/20 0.57
MAOB P27338 5/20 0.57
MAPT P10636 5/20 0.57
MMP1 P03956 5/20 0.49
MMP2 P08253 5/20 0.49
MMP9 P14780 5/20 0.49
EGFR P00533 4/20 0.49
MAOA P21397 3/20 0.49
IDO1 P14902 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
TGM2 P21980 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NFKB1 P19838 2/20 0.44

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
SCHEMBL4646534 1.00 RAB9A (0.57) RAB9ANPC1MAOBMAPTMMP1
SCHEMBL4649040 0.85 MMP1 (0.49) RAB9ANPC1MAOBMAPTMMP1
SCHEMBL4649042 0.85 MMP1 (0.49) RAB9ANPC1MAOBMAPTMMP1
SCHEMBL4647880 0.82 MMP1 (0.49) RAB9ANPC1MAOBMAPTMMP1
SCHEMBL4647874 0.82 MMP1 (0.49) RAB9ANPC1MAOBMAPTMMP1
SCHEMBL4644905 0.79 MAOB (0.46) RAB9ANPC1MAOBMAPTMMP1
SCHEMBL4648534 0.79 MAPT (0.41) RAB9ANPC1MAOBMAPTMMP1
SCHEMBL3986444 0.79 MAPT (0.56) RAB9ANPC1MAOBMAPTMMP1
SCHEMBL9277123 0.79 MAPT (0.56) RAB9ANPC1MAOBMAPTMMP1
SCHEMBL4648073 0.79 MAPT (0.56) RAB9ANPC1MAOBMAPTMMP1

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