SCHEMBL8439425

SCHEMBL8439425

O=C(CN1C(=O)CC1SCc1ccccc1)NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.50
USP2 O75604 1/20 0.49
GAA P10253 2/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 3/20 0.47
ITGB1 P05556 1/20 0.46
ITGA5 P08648 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HSD17B10 Q99714 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ALDH1A1 P00352 1/20 0.44
MDM2 Q00987 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
SCHEMBL8442318 0.88 TRPV1 (0.49) GAAPOLBLMNAMEN1KMT2A
SCHEMBL8094757 0.86 HTT (0.51) HTTUSP2GAASMN1; SMN2POLB
SCHEMBL8094756 0.86 HTT (0.51) HTTUSP2GAASMN1; SMN2POLB
SCHEMBL8102648 0.86 HTT (0.51) HTTUSP2GAASMN1; SMN2POLB
SCHEMBL8442701 0.85 TRPV1 (0.48) GAALMNAKMT2ATSHRALDH1A1
SCHEMBL8438293 0.84 P2RX7 (0.56) NPC1RAB9AALDH1A1
SCHEMBL8438654 0.84 CYP2C19 (0.40) POLBITGB1ITGA5KMT2ATSHR
SCHEMBL8442219 0.84 CYP2C19 (0.40) POLBITGB1ITGA5KMT2ATSHR
SCHEMBL8374671 0.84 CYP2C19 (0.40) POLBITGB1ITGA5KMT2ATSHR
SCHEMBL8440280 0.84 TRPV1 (0.50) GAALMNAKMT2ATSHRALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US claimed
CN-1175246-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM PLC (GB) 1998-03-04 CN claimed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO claimed
US-5990102-A Substituted azetidin-2-ones for treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 1999-11-23 US disclosed
EP-0799200-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-10-08 EP disclosed
WO-1996019451-A1 SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-06-27 WO disclosed