SCHEMBL7979074

SCHEMBL7979074

Cc1cc(Cl)ccc1C(CCC#N)c1c[nH]c2c(C[S@+](C)[O-])cccc12

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
FFAR1 O14842 1/20 0.30
GPR84 Q9NQS5 1/20 0.30
PNP P00491 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
SCHEMBL1426885 1.00 MEN1 (0.32) MEN1KMT2AFFAR1GPR84PNP
SCHEMBL1348160 0.92 KMT2A (0.41) MEN1KMT2AFFAR1GPR84PNP
SCHEMBL1347205 0.90 MEN1 (0.31) MEN1KMT2A
SCHEMBL1350244 0.89 MPO (0.33) FFAR1GPR84
SCHEMBL1349154 0.87 MGAM (0.34) FFAR1GPR84
SCHEMBL1349559 0.85 MEN1 (0.33) MEN1KMT2APNP
SCHEMBL1349184 0.84 MEN1 (0.34) MEN1KMT2AFFAR1GPR84PNP
SCHEMBL1349318 0.83 MEN1 (0.32) MEN1KMT2AFFAR1GPR84PNP
SCHEMBL1350623 0.83 PNP (0.33) MEN1KMT2APNP
SCHEMBL1348363 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009156072-A1 SUBSTITUTED 7-SULFANYLMETHYL, 7-SULFINYLMETHYL AND 7-SULFONYLMETHYL INDOLES AND USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-12-30 WO disclosed