SCHEMBL11255903

SCHEMBL11255903

C[S+]([O-])CC(=O)c1[nH]c2cc(Br)c(Cl)cc2c1-c1ncccn1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 1/20 0.31
CYP1A2 P05177 1/20 0.30
GSK3B P49841 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
SCHEMBL11249109 0.85
SCHEMBL11256808 0.84 MAP2 (0.36) MAP2CYP1A2GSK3B
SCHEMBL11298778 0.84 MAP2 (0.47) MAP2CYP1A2
SCHEMBL11345589 0.84 JAK2 (0.31)
SCHEMBL11255594 0.84 POLB (0.30)
SCHEMBL11253318 0.84 ADORA2B (0.31)
SCHEMBL11258227 0.84
SCHEMBL11260847 0.84 MAP2 (0.31) MAP2
SCHEMBL11252557 0.83 GPR35 (0.47) MAP2CYP1A2GSK3B
SCHEMBL11255700 0.82 MCL1 (0.33) MAP2CYP1A2GSK3B

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