SCHEMBL11301573

SCHEMBL11301573

C[S+]([O-])CC(=O)c1[nH]c2ccc(Cl)cc2c1-c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 11/20 0.46
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
XBP1 P17861 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
PTGS2 P35354 1/20 0.39

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
SCHEMBL11557379 0.86 MAP2 (0.47) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL11298359 0.86 MAP2 (0.61) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL11301089 0.84 MAP2 (0.51) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL11302689 0.84 MAP2 (0.66) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL11302659 0.82 MAP2 (0.53) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL11299702 0.82 MAP2 (0.46) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL11266121 0.80 MAP2 (0.46) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL11297232 0.80 MAP2 (0.47) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL11303798 0.76 ALDH1A1 (0.71) MAP2ALDH1A1CYP1A2HPGDXBP1
SCHEMBL11551753 0.76 MAP2 (0.48) MAP2ALDH1A1CYP1A2HPGDXBP1

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 4 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 claimed
EP-0000972-A2 2-Substituted-3-phenylindoles, their preparation, and pharmaceutical compositions containing them Technobiotic Ltd. (CH) 1979-03-07 EP claimed
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