SCHEMBL3365467

SCHEMBL3365467

CCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C2\C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1.O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)N/N=C1\C(=O)Nc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OXTR P30559 4/20 0.58
AVPR1A P37288 4/20 0.58
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 4/20 0.49
ALDH1A1 P00352 2/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
POLB P06746 2/20 0.47
KDM4E B2RXH2 1/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
LMNA P02545 1/20 0.46

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
SCHEMBL3365471 1.00 OXTR (0.58) OXTRAVPR1AKMT2AMEN1MAPT
SCHEMBL3364643 0.98 OXTR (0.59) OXTRAVPR1AKMT2AMEN1MAPT
SCHEMBL3370102 0.98 OXTR (0.59) OXTRAVPR1AKMT2AMEN1MAPT
SCHEMBL3366189 0.94 MAPT (0.53) OXTRAVPR1AKMT2AMEN1MAPT
SCHEMBL3366186 0.94 MAPT (0.53) OXTRAVPR1AKMT2AMEN1MAPT
SCHEMBL3369773 0.94 MAPT (0.53) OXTRAVPR1AKMT2AMEN1MAPT
SCHEMBL3364710 0.92 OXTR (0.52) OXTRAVPR1AKMT2AMEN1MAPT
SCHEMBL3364706 0.92 OXTR (0.52) OXTRAVPR1AKMT2AMEN1MAPT
SCHEMBL3365077 0.92 OXTR (0.52) OXTRAVPR1AKMT2AMEN1MAPT
SCHEMBL3365082 0.92 OXTR (0.52) OXTRAVPR1AKMT2AMEN1MAPT

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