SCHEMBL4646831

SCHEMBL4646831

SC(C=CSc1cccc(Cl)c1)=Nc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.40
MAPT P10636 4/20 0.40
ALDH1A1 P00352 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTR3E A5X5Y0 2/20 0.37
HTR3B O95264 2/20 0.37
HTR3A P46098 2/20 0.37
HTR3D Q70Z44 2/20 0.37
HTR3C Q8WXA8 2/20 0.37
SLC22A2 O15244 1/20 0.37
SLC22A1 O15245 1/20 0.37
SLC22A3 O75751 1/20 0.37
PLAU P00749 1/20 0.37
HTT P42858 2/20 0.36
PLIN1 O60240 1/20 0.36
HPGD P15428 1/20 0.36
PLIN5 Q00G26 1/20 0.36
ABHD5 Q8WTS1 1/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35

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
SCHEMBL4646923 0.92 HTR3E (0.44) LMNAMAPTALDH1A1NPSR1HTR3E
SCHEMBL4645168 0.89 ALDH1A1 (0.39) LMNAMAPTALDH1A1NPSR1HTR3E
SCHEMBL4649018 0.88 MAPT (0.35) LMNAMAPTALDH1A1NPSR1HTR3E
SCHEMBL4647344 0.85 LMNA (0.47) LMNAMAPTALDH1A1NPSR1HTR3E
SCHEMBL4646000 0.84 ALDH1A1 (0.54) LMNAMAPTALDH1A1NPSR1HTR3E
SCHEMBL4645997 0.84 MAPT (0.50) LMNAMAPTALDH1A1NPSR1HTR3E
SCHEMBL4645251 0.83 NPSR1 (0.35) LMNAMAPTALDH1A1NPSR1HTR3E
SCHEMBL4648393 0.83 MAPT (0.36) LMNAMAPTALDH1A1NPSR1HTT
SCHEMBL4648580 0.83 LMNA (0.38) LMNAMAPTALDH1A1NPSR1HTR3E
SCHEMBL4648361 0.80 ITGB2 (0.40) LMNAMAPTALDH1A1NPSR1KMT2A

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