Sugi Predict

Sugi Predict / Compounds / SCHEMBL3370122

SCHEMBL3370122

SCHEMBL3370122

CCCc1ccc(S(=O)(=O)N(CC(=O)NN=C2C(=O)Nc3ccccc32)c2ccc(Cl)cc2)cc1.CCOc1ccc(S(=O)(=O)N(c2ccc(C)cc2)C(C)C(=O)NN=C2C(=O)Nc3ccccc32)cc1.CCOc1ccc(S(=O)(=O)N(c2ccc(C)cc2)C(CO)C(=O)NN=C2C(=O)Nc3ccccc32)cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OXTR P30559 8/20 0.44
▸ AVPR1A P37288 6/20 0.44
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MEN1 O00255 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ PTGER1 P34995 1/20 0.38
▸ AVPR2 P30518 1/20 0.36

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
SCHEMBL3366361 0.85 OXTR (0.52) OXTRAVPR1ALMNAMAPTMEN1
SCHEMBL3366364 0.85 OXTR (0.52) OXTRAVPR1ALMNAMAPTMEN1
SCHEMBL3365696 0.83 OXTR (0.51) OXTRAVPR1ALMNAMAPTKMT2A
SCHEMBL3365695 0.83 OXTR (0.51) OXTRAVPR1ALMNAMAPTKMT2A
SCHEMBL3364643 0.83 OXTR (0.59) OXTRAVPR1ALMNAMAPTMEN1
SCHEMBL3370102 0.83 OXTR (0.59) OXTRAVPR1ALMNAMAPTMEN1
SCHEMBL3367849 0.83 OXTR (0.59) OXTRAVPR1ALMNAMAPTMEN1
SCHEMBL3366598 0.83 OXTR (0.59) OXTRAVPR1ALMNAMAPTMEN1
SCHEMBL3365022 0.83 OXTR (0.49) OXTRAVPR1AMAPTMEN1KMT2A
SCHEMBL3365025 0.83 OXTR (0.49) OXTRAVPR1AMAPTMEN1KMT2A

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