SCHEMBL4646887

SCHEMBL4646887

O=C(/C=C/SCc1ccc(Cl)cc1Cl)NSc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HTT P42858 2/20 0.42
TBXA2R P21731 1/20 0.42
PTGFR P43088 1/20 0.42
PTGER3 P43115 1/20 0.42
PTGER2 P43116 1/20 0.42
PTGIR P43119 1/20 0.42
PTGDR Q13258 1/20 0.42
ALDH1A1 P00352 4/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C19 P33261 2/20 0.40
CYP2C9 P11712 1/20 0.40
IDO1 P14902 2/20 0.40

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
SCHEMBL4648358 0.79 ITGB2 (0.44) LMNAMAPTKMT2AMEN1HTT
SCHEMBL4646825 0.75 MAPT (0.47) LMNAMAPTKMT2AMEN1HTT
SCHEMBL4645164 0.73 MAPT (0.48) LMNAMAPTKMT2AMEN1HTT
SCHEMBL4647896 0.73 ALDH1A1 (0.42) EPHX1LMNAMAPTKMT2AMEN1
SCHEMBL4645248 0.71 LMNA (0.43) LMNAMAPTKMT2AMEN1HTT
SCHEMBL4646889 0.71 CYP1A2 (0.42) EPHX1LMNAMAPTKMT2AMEN1
SCHEMBL4648534 0.70 MAPT (0.41) LMNAMAPTKMT2AMEN1HTT
SCHEMBL9363596 0.68 CYP1A2 (0.60) EPHX1LMNAMAPTKMT2AMEN1
SCHEMBL4645220 0.65 LMNA (0.42) LMNAMAPTKMT2AMEN1HTT
SCHEMBL4647175 0.65 NPSR1 (0.40) LMNAMAPTKMT2AMEN1HTT

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