SCHEMBL11264010

SCHEMBL11264010

C[S+]([O-])CC(=O)c1[nH]c2cc(Cl)ccc2c1-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 2/20 0.40
METAP2 P50579 1/20 0.40
METAP1 P53582 1/20 0.40
MDM4 O15151 1/20 0.40
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
ALOX15 P16050 5/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GPR17 Q13304 1/20 0.37
MAP2 P11137 1/20 0.37

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
SCHEMBL11266121 0.92 MAP2 (0.46) MEN1KMT2AMAP2
SCHEMBL11258473 0.88 CBFB (0.36) CBFBMEN1KMT2AGPR35MAP2
SCHEMBL11250335 0.85 MAP2 (0.33) CBFBTP53MEN1KMT2AGPR35
SCHEMBL11308976 0.84 MAP2 (0.53) MDM4TP53MDM2ALOX15MEN1
SCHEMBL11257258 0.84 CBFB (0.39) CBFBMETAP2METAP1TP53MEN1
SCHEMBL11551753 0.82 MAP2 (0.48) MDM4MDM2ALOX15GPR35GPR17
SCHEMBL11267254 0.82 METAP2 (0.41) CBFBMETAP2METAP1MDM4TP53
SCHEMBL11253133 0.81 CBFB (0.35) CBFBMETAP2METAP1TP53MEN1
SCHEMBL11256780 0.81 CBFB (0.34) CBFBTP53MEN1KMT2AGPR35
SCHEMBL11262495 0.80 MAP2 (0.34) CBFBKMT2AMAP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4342769-A 2-[(Methylsulfinyl)acetyl]-3-heterocyclicindoles and derivatives thereof as immunosuppressants SCHERING CORPORATION (US) 1982-08-03 US disclosed
US-4328345-A Pyridyl substituted indoles SCHERING CORPORATION (US) 1982-05-04 US disclosed
EP-0010617-B1 NOVEL 2-SUBSTITUTED-3-HETEROCYCLYLINDOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1981-08-05 EP disclosed
US-4225711-A Substituted 2-[(methylsulfinyl)acetyl]-3-heterocyclicindoles and their use as immunosuppressants SCHERING CORPORATION (US) 1980-09-30 US disclosed
EP-0010617-A1 Novel 2-substituted-3-heterocyclylindoles, their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1980-05-14 EP disclosed