SCHEMBL8110109

SCHEMBL8110109

C[S+]([O-])C1N(CC(=O)NCc2ccccc2)C(=O)C1(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
POLB P06746 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HTT P42858 3/20 0.46
LMNA P02545 3/20 0.44
USP2 O75604 1/20 0.42
GAA P10253 2/20 0.42
TSHR P16473 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CYP3A4 P08684 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL8108405 0.78 HTT (0.49) SMN1; SMN2POLBNPC1RAB9AHTT
SCHEMBL8094760 0.78 HTT (0.49) SMN1; SMN2POLBNPC1RAB9AHTT
SCHEMBL8094808 0.78 NPC1 (0.49) SMN1; SMN2POLBNPC1RAB9AHTT
SCHEMBL8094816 0.78 NPC1 (0.49) SMN1; SMN2POLBNPC1RAB9AHTT
SCHEMBL8108451 0.78 HTT (0.49) SMN1; SMN2POLBNPC1RAB9AHTT
SCHEMBL8094805 0.78 NPC1 (0.49) SMN1; SMN2POLBNPC1RAB9AHTT
SCHEMBL8108440 0.78 SMN1; SMN2 (0.49) SMN1; SMN2POLBNPC1RAB9AHTT
SCHEMBL8108507 0.77 KMT2A (0.38) KMT2A
SCHEMBL8104215 0.77 SMN1; SMN2 (0.48) SMN1; SMN2POLBNPC1RAB9AHTT
SCHEMBL8772459 0.70 HTT (0.48) SMN1; SMN2POLBNPC1RAB9AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US claimed
EP-0788478-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1997-08-13 EP claimed
WO-1996013484-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1996-05-09 WO claimed
US-6071899-A Azetidinone derivatives for the treatment of atherosclerosis SMITHKLINE BEECHAM P.L.C. (GB) 2000-06-06 US disclosed