SCHEMBL21674366

SCHEMBL21674366

CC(C)(C)OC(=O)N1CCC(NSCc2cccc(Cl)c2)CC1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.60
STS P08842 6/20 0.53
TP53 P04637 2/20 0.49
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
RAB9A P51151 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
POLB P06746 1/20 0.46
EPHX1 P07099 1/20 0.45
GPR119 Q8TDV5 1/20 0.44
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 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
SCHEMBL4139961 0.84 STS (0.56) SMN1; SMN2STSTP53ALDH1A1NPC1
SCHEMBL16846251 0.80 STS (0.61) SMN1; SMN2STSTP53ALDH1A1NPC1
SCHEMBL3161476 0.80 SMN1; SMN2 (0.58) SMN1; SMN2STSTP53ALDH1A1MAPT
SCHEMBL21674297 0.79 SMN1; SMN2 (0.57) SMN1; SMN2STSTP53POLBGPR119
SCHEMBL5575926 0.78 STS (0.57) SMN1; SMN2STSTP53ALDH1A1NPC1
SCHEMBL6424545 0.77 SMN1; SMN2 (0.55) SMN1; SMN2STSTP53MAPTPOLB
SCHEMBL22266052 0.76 SMN1; SMN2 (0.54) SMN1; SMN2STSTP53ALDH1A1MAPT
SCHEMBL5187640 0.76 DPP4 (0.60) SMN1; SMN2STSTP53MAPTPOLB
SCHEMBL3155717 0.75 MEN1 (0.58) SMN1; SMN2TP53ALDH1A1NPC1MAPT
SCHEMBL4306307 0.75 MEN1 (0.57) SMN1; SMN2STSTP53MAPTPOLB

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-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 EP disclosed