SCHEMBL11250335

SCHEMBL11250335

C[S+]([O-])CC(=O)c1[nH]c2cc(Br)c(Cl)cc2c1-c1ccccn1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 4/20 0.33
CBFB Q13951 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
GPR35 Q9HC97 1/20 0.33
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CCR1 P32246 1/20 0.30
CCR5 P51681 1/20 0.30
CCR8 P51685 1/20 0.30
PADI4 Q9UM07 1/20 0.30
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30
TP53 P04637 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CYP1A2 P05177 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
SCHEMBL11258473 0.92 CBFB (0.36) MAP2CBFBMEN1KMT2AGPR35
SCHEMBL11260847 0.89 MAP2 (0.31) MAP2
SCHEMBL11255903 0.89 MAP2 (0.31) MAP2CYP1A2
SCHEMBL11345589 0.87 JAK2 (0.31)
SCHEMBL11255594 0.87 POLB (0.30)
SCHEMBL11256780 0.86 CBFB (0.34) MAP2CBFBMEN1KMT2AGPR35
SCHEMBL11298778 0.85 MAP2 (0.47) MAP2MEN1KMT2AGPR35ALDH1A1
SCHEMBL11264010 0.85 CBFB (0.40) MAP2CBFBMEN1KMT2AGPR35
SCHEMBL11266121 0.85 MAP2 (0.46) MAP2MEN1KMT2APADI4ALDH1A1
SCHEMBL11258228 0.84 CYP1A2 (0.31) MAP2CYP1A2

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 9 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 claimed
US-4328345-A Pyridyl substituted indoles SCHERING CORPORATION (US) 1982-05-04 US claimed
EP-0010617-B1 NOVEL 2-SUBSTITUTED-3-HETEROCYCLYLINDOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1981-08-05 EP claimed
EP-0010617-A1 Novel 2-substituted-3-heterocyclylindoles, their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1980-05-14 EP claimed
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