SCHEMBL9934395

SCHEMBL9934395

CCc1ccc(-c2ccc(SC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 12/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
KDM4E B2RXH2 1/20 0.50
ATM Q13315 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAOA P21397 1/20 0.47
SLC6A2 P23975 1/20 0.47
SLC6A3 Q01959 1/20 0.47
MMP12 P39900 1/20 0.45
MMP13 P45452 1/20 0.45
GPR55 Q9Y2T6 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL257109 0.93 MEN1 (0.55) SLC6A4KMT2AMEN1KDM4EATM
SCHEMBL16933906 0.83 EGFR (0.42) SLC6A4SMN1; SMN2
SCHEMBL1702558 0.82 TP53 (0.56) ATMSMN1; SMN2
SCHEMBL10528160 0.82 ALDH1A1 (0.50) SLC6A4MAOASLC6A2SLC6A3MMP12
SCHEMBL10300271 0.82 ALDH1A1 (0.50) SLC6A4MAOASLC6A2SLC6A3MMP12
SCHEMBL2776957 0.82 TP53 (0.56) ATMSMN1; SMN2
SCHEMBL16316305 0.80 SMN1; SMN2 (0.46) SLC6A4KMT2AMEN1KDM4EATM
SCHEMBL13818580 0.80 BCL2 (0.56) SLC6A4MAOASLC6A2SLC6A3
SCHEMBL21363123 0.80 BCL2 (0.44) KMT2AMEN1KDM4EATMSMN1; SMN2
SCHEMBL19091939 0.76 SLC6A4 (0.51) SLC6A4KMT2AMEN1KDM4EMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471873-B1 ENERGY RAY-CURABLE GASKET BRIDGESTONE CORP (JP) 2015-09-30 EP disclosed
EP-2471873-A1 ENERGY RAY-CURABLE ELASTOMER COMPOSITION Bridgestone Corporation (JP) 2012-07-04 EP disclosed
US-20120157564-A1 ENERGY RAY-CURABLE ELASTOMER COMPOSITION BRIDGESTONE CORPORATION (JP) 2012-06-21 US disclosed