SCHEMBL11257258

SCHEMBL11257258

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CBFB Q13951 5/20 0.39
MAP2 P11137 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
GPR35 Q9HC97 1/20 0.35
PADI4 Q9UM07 1/20 0.34
IMPDH2 P12268 1/20 0.33
NTRK1 P04629 1/20 0.32
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TP53 P04637 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL11256780 0.92 CBFB (0.34) CBFBMAP2KMT2AMEN1GPR35
SCHEMBL11258473 0.87 CBFB (0.36) CBFBMAP2KMT2AMEN1GPR35
SCHEMBL11307326 0.84 MAP2 (0.51) MAP2KMT2AMEN1GPR35KDM4E
SCHEMBL11266121 0.84 MAP2 (0.46) MAP2KMT2AMEN1PADI4KDM4E
SCHEMBL11264010 0.84 CBFB (0.40) CBFBMAP2KMT2AMEN1GPR35
SCHEMBL11250335 0.83 MAP2 (0.33) CBFBMAP2KMT2AMEN1GPR35
SCHEMBL11259837 0.81 CBFB (0.40) CBFBMAP2KMT2AMEN1GPR35
SCHEMBL11300066 0.81 MAP2 (0.39) MAP2GPR35
SCHEMBL11306091 0.80 MAP2 (0.40) MAP2KMT2AMEN1GPR35KDM4E
SCHEMBL11344401 0.78 ALDH1A1 (0.49) KMT2ASMN1; SMN2KDM4EALDH1A1HPGD

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