SCHEMBL3367938

SCHEMBL3367938

CCOc1ccc(S(=O)(=O)N(CC(=O)N2C(C(N)=O)CCC2c2ccccc2)c2ccc(C)cc2)cc1.COc1ccc(S(=O)(=O)N(CC(=O)N[C@H](C(=O)O)C(C)C)c2ccc(F)cc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
GAA P10253 1/20 0.52
TP53 P04637 3/20 0.51
HCRTR1 O43613 1/20 0.48
HCRTR2 O43614 1/20 0.48
ALDH1A1 P00352 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
OXTR P30559 3/20 0.43
AVPR1A P37288 3/20 0.43
POLB P06746 3/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPT P10636 1/20 0.40
PTGER1 P34995 1/20 0.40

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
SCHEMBL3367937 1.00 MEN1 (0.52) MEN1KMT2AGAATP53HCRTR1
SCHEMBL5641690 0.96 TP53 (0.51) MEN1KMT2AGAATP53HCRTR1
SCHEMBL5641692 0.96 TP53 (0.51) MEN1KMT2AGAATP53HCRTR1
SCHEMBL3367943 0.92 MEN1 (0.52) MEN1KMT2AGAATP53HCRTR1
SCHEMBL5641698 0.89 TP53 (0.50) MEN1KMT2AGAATP53HCRTR1
SCHEMBL3366709 0.83 OXTR (0.53) MEN1KMT2ATP53ALDH1A1SMN1; SMN2
SCHEMBL3366627 0.83 OXTR (0.59) KMT2AALDH1A1OXTRAVPR1APOLB
SCHEMBL3364066 0.77 TP53 (0.64) MEN1KMT2AGAATP53HCRTR1
SCHEMBL3364069 0.77 TP53 (0.64) MEN1KMT2AGAATP53HCRTR1
SCHEMBL3366690 0.69 MEN1 (0.58) MEN1KMT2AGAAALDH1A1SMN1; SMN2

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
EP-1335901-B1 PHARMACEUTICALLY ACTIVE SULFANILIDE DERIVATIVES MERCK SERONO SA (CH) 2010-04-14 EP claimed