SCHEMBL11301446

SCHEMBL11301446

C[S+]([O-])CC(=O)c1[nH]c2cc(Br)c(Cl)cc2c1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 8/20 0.41
GPR35 Q9HC97 1/20 0.37
GPR17 Q13304 3/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
ALOX15 P16050 1/20 0.34
MDM4 O15151 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL11298778 0.89 MAP2 (0.47) MAP2GPR35CA1CA2
SCHEMBL11256808 0.88 MAP2 (0.36) MAP2GPR35
SCHEMBL11556875 0.85 MAP2 (0.45) MAP2GPR35CA1CA2
SCHEMBL11306091 0.85 MAP2 (0.40) MAP2GPR35GPR17CA1CA2
SCHEMBL11302659 0.84 MAP2 (0.53) MAP2
SCHEMBL11309419 0.84 MAP2 (0.44) MAP2CA1CA2
SCHEMBL11304764 0.82 MAP2 (0.42) MAP2GPR35GPR17CA1CA2
SCHEMBL11252557 0.82 GPR35 (0.47) MAP2GPR35
SCHEMBL11256027 0.80 CSF1R (0.33) MAP2
SCHEMBL11300076 0.80 CA1 (0.39) MAP2GPR35CA1CA2

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