SCHEMBL8370549

SCHEMBL8370549

O=S(=O)(Cc1cccc(Cl)c1)Cc1cccc(Cl)c1

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PNMT P11086 2/20 0.54
KMT2A Q03164 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
TAAR1 Q96RJ0 3/20 0.50
CYP3A4 P08684 2/20 0.48
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
S100A9 P06702 1/20 0.47
HTR3E A5X5Y0 2/20 0.46
HTR3B O95264 2/20 0.46
HTR3A P46098 2/20 0.46
HTR3D Q70Z44 2/20 0.46
HTR3C Q8WXA8 2/20 0.46
CTBP2 P56545 1/20 0.44

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
SCHEMBL9558316 0.90 KMT2A (0.49) PNMTKMT2ARXFP1TAAR1CYP3A4
SCHEMBL294676 0.87 PNMT (0.54) PNMTKMT2ARXFP1TAAR1CYP3A4
SCHEMBL29581044 0.87 PNMT (0.54) PNMTKMT2ARXFP1TAAR1CYP3A4
SCHEMBL14426942 0.85 KMT2A (0.52) PNMTKMT2ARXFP1TAAR1CYP3A4
SCHEMBL294675 0.85 PNMT (0.52) PNMTKMT2ARXFP1TAAR1CYP3A4
Hydrochloric Acid SCHEMBL28332854 0.85 PNMT (0.52) PNMTKMT2ARXFP1TAAR1CYP3A4
SCHEMBL30502958 0.85 PNMT (0.52) PNMTKMT2ARXFP1TAAR1CYP3A4
SCHEMBL2343233 0.85 PNMT (0.52) PNMTKMT2ARXFP1TAAR1CYP3A4
SCHEMBL2377120 0.83 PNMT (0.50) PNMTTAAR1CYP3A4IDO1AGXT
SCHEMBL2377117 0.83 PNMT (0.50) PNMTKMT2ARXFP1TAAR1CYP3A4

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-0765339-B1 3-AMINO-2-OXO-1-PIPERIDINEACETIC DERIVATIVES CONTAINING AN ARGININE MIMIC AS ENZYME INHIBITORS CORVAS INT INC (US) 1999-01-27 EP disclosed