SCHEMBL3366985

SCHEMBL3366985

CCOc1ccc(S(=O)(=O)N(CC(=O)NN=Cc2c[nH]c3ccccc23)c2ccc(C)cc2)cc1.COCCOc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2ccc(C)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OXTR P30559 7/20 0.56
AVPR1A P37288 6/20 0.56
MAPT P10636 6/20 0.50
LMNA P02545 1/20 0.50
AVPR2 P30518 1/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 2/20 0.41
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.41
MPI P34949 1/20 0.41
PTK2B Q14289 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HTT P42858 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 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
SCHEMBL3366983 1.00 OXTR (0.56) OXTRAVPR1AMAPTLMNAAVPR2
SCHEMBL3366259 0.87 OXTR (0.49) OXTRAVPR1AMAPTLMNAMEN1
SCHEMBL3366261 0.87 OXTR (0.49) OXTRAVPR1AMAPTLMNAMEN1
SCHEMBL3366525 0.86 OXTR (0.73) OXTRAVPR1AMAPTLMNAAVPR2
SCHEMBL3366530 0.86 OXTR (0.73) OXTRAVPR1AMAPTLMNAAVPR2
SCHEMBL14349072 0.84 OXTR (0.59) OXTRAVPR1AMAPTLMNAAVPR2
SCHEMBL3366598 0.84 OXTR (0.59) OXTRAVPR1AMAPTLMNAAVPR2
SCHEMBL3367849 0.84 OXTR (0.59) OXTRAVPR1AMAPTLMNAAVPR2
SCHEMBL3365652 0.82 OXTR (0.51) OXTRAVPR1AMAPTLMNAMEN1
SCHEMBL3365656 0.82 OXTR (0.51) OXTRAVPR1AMAPTLMNAMEN1

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