SCHEMBL11298359

SCHEMBL11298359

C[S+]([O-])CC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 12/20 0.61
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
CYP1A2 P05177 1/20 0.52
HPGD P15428 1/20 0.52
XBP1 P17861 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
PTGS2 P35354 1/20 0.47
GPR35 Q9HC97 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47

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
SCHEMBL11302659 0.93 MAP2 (0.53) MAP2ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL11302689 0.93 MAP2 (0.66) MAP2ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL11551753 0.90 MAP2 (0.48) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL11301573 0.86 MAP2 (0.46) MAP2ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL11557379 0.86 MAP2 (0.47) MAP2ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL11299702 0.84 MAP2 (0.46) MAP2ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL11308976 0.83 MAP2 (0.53) MAP2ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL11301089 0.82 MAP2 (0.51) MAP2ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL11266121 0.82 MAP2 (0.46) MAP2ALDH1A1KDM4ECYP1A2HPGD
SCHEMBL11302781 0.80 MAP2 (0.51) MAP2ALDH1A1KDM4ECYP1A2HPGD

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
US-4255442-A 2-[(Methylsulfinyl)]-3-phenylindoles SCHERING CORPORATION (US) 1981-03-10 US disclosed
EP-0000972-A2 2-Substituted-3-phenylindoles, their preparation, and pharmaceutical compositions containing them Technobiotic Ltd. (CH) 1979-03-07 EP disclosed