SCHEMBL8620238

SCHEMBL8620238

CC(C(=O)N(Cc1ccccc1)c1ccccc1)N1C(=O)CC1SCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.43
CHRM2 P08172 4/20 0.42
CHRM1 P11229 4/20 0.42
CHRM3 P20309 4/20 0.42
LTB4R2 Q9NPC1 1/20 0.40
ACE P12821 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL8440266 0.82 ACE (0.46) ACEALDH1A1SMN1; SMN2
SCHEMBL8551020 0.78 ACE (0.43) ACEL3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL8552407 0.76 SLC1A2 (0.58) ACEALDH1A1HTTSMN1; SMN2
SCHEMBL8551199 0.72 ALDH1A1 (0.43) ACETDP1L3MBTL1ALDH1A1
SCHEMBL8554773 0.71 ALDH1A1 (0.54) ACETDP1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL27478642 0.71 ACE (0.38) CHRM2CHRM1CHRM3ACEALDH1A1
SCHEMBL8552221 0.71 MDM2 (0.44) ACETDP1L3MBTL1ALDH1A1
SCHEMBL12658891 0.70 LTB4R2 (0.68) ATMLTB4R2TDP1L3MBTL1ALDH1A1
SCHEMBL8557349 0.69 L3MBTL1 (0.40) ACEL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL8552490 0.69 ALDH1A1 (0.42) ACEALDH1A1NPC1RAB9A

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-0840725-A1 AZETIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 1998-05-13 EP disclosed