SCHEMBL9821782

SCHEMBL9821782

C[C](C)CSc1cc(C)c2ccccc2n1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.70
CYP2C19 P33261 1/20 0.70
LMNA P02545 4/20 0.62
HPGD P15428 3/20 0.62
KMT2A Q03164 8/20 0.62
MAPT P10636 5/20 0.62
MEN1 O00255 4/20 0.62
ALDH1A1 P00352 3/20 0.62
KDM4E B2RXH2 2/20 0.62
THRB P10828 1/20 0.62
GAA P10253 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
POLB P06746 2/20 0.61
RECQL P46063 2/20 0.61
HTT P42858 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
NSD2 O96028 1/20 0.61
APEX1 P27695 1/20 0.61
RXFP1 Q9HBX9 3/20 0.58
TP53 P04637 2/20 0.58

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
SCHEMBL6892230 0.86 CYP2C9 (0.77) CYP2C9CYP2C19LMNAHPGDKMT2A
Silver SCHEMBL11064940 0.82 CYP2C9 (0.71) CYP2C9CYP2C19LMNAHPGDKMT2A
SCHEMBL7936194 0.78 MAPT (0.73) CYP2C9CYP2C19LMNAHPGDKMT2A
SCHEMBL5027088 0.78 MAPT (0.63) CYP2C9CYP2C19LMNAHPGDKMT2A
SCHEMBL5803966 0.77 CYP2C9 (0.60) CYP2C9CYP2C19LMNAHPGDKMT2A
SCHEMBL5027091 0.75 MAPT (0.59) CYP2C9CYP2C19LMNAHPGDKMT2A
SCHEMBL14825300 0.75 KMT2A (0.57) CYP2C9CYP2C19LMNAHPGDKMT2A
SCHEMBL22534237 0.75 CYP2C19 (0.54) CYP2C9CYP2C19LMNAHPGDKMT2A
SCHEMBL29935564 0.75 CYP2C19 (0.54) CYP2C9CYP2C19LMNAHPGDKMT2A
SCHEMBL9194109 0.74 CYP2C9 (0.53) CYP2C9CYP2C19LMNAHPGDKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0417057-A2 Heterocyclic thiol-based sulfenimide compounds and rubber compositions containing them MONSANTO COMPANY (US) 1991-03-13 EP disclosed