SCHEMBL8860438

SCHEMBL8860438

Cc1ccc([S@+]([O-])NC(=O)c2c(-c3ccc[nH]c3=O)c3cc(C)ccc3n2Cc2cc3ccccc3nc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C8 P10632 1/20 0.51
KMT2A Q03164 8/20 0.37
PTGDR2 Q9Y5Y4 3/20 0.36
MEN1 O00255 2/20 0.34
ALDH1A1 P00352 4/20 0.33
KDM4E B2RXH2 3/20 0.33
RCE1 Q9Y256 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 2/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL832720 0.93 CYP2C8 (0.60) CYP2C8KMT2APTGDR2MEN1ALDH1A1
SCHEMBL10255460 0.85 CYP2C8 (0.44) CYP2C8KMT2APTGDR2MEN1ALDH1A1
SCHEMBL12665812 0.78 CYP2C8 (0.69) CYP2C8KMT2APTGDR2MEN1ALDH1A1
SCHEMBL13906259 0.78 CYP2C8 (0.79) CYP2C8KMT2APTGDR2MEN1ALDH1A1
SCHEMBL832169 0.76 CYP2C8 (0.61) CYP2C8KMT2APTGDR2MEN1ALDH1A1
SCHEMBL13905161 0.76 CYP2C8 (0.50) CYP2C8KMT2APTGDR2MEN1ALDH1A1
SCHEMBL831122 0.75 CYP2C8 (0.59) CYP2C8KMT2APTGDR2MEN1ALDH1A1
SCHEMBL832443 0.74 CYP2C8 (0.76) CYP2C8KMT2AMEN1ALDH1A1KDM4E
SCHEMBL831903 0.73 CYP2C8 (0.45) CYP2C8KMT2APTGDR2MEN1ALDH1A1
SCHEMBL832115 0.73 CYP2C8 (0.62) CYP2C8KMT2APTGDR2MEN1ALDH1A1

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-2197842-B1 2, 3-SUBSTITUTED INDOLE DERIVATIVES FOR TREATING VIRAL INFECTIONS SCHERING CORP (US) 2012-05-23 EP disclosed