SCHEMBL19265249

SCHEMBL19265249

C[S+]([O-])NCC(NC(=O)OC(C)(C)C)c1cccc(Cl)c1Cl

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.45
AVPR1A P37288 2/20 0.45
DRD2 P14416 4/20 0.39
ATM Q13315 2/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
CTSL P07711 1/20 0.35
DRD3 P35462 1/20 0.35
MAPT P10636 1/20 0.35
LCK P06239 1/20 0.35
SYK P43405 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL19265168 0.91 ATM (0.40) AVPR2AVPR1AATMCTSLMAPT
SCHEMBL19265086 0.89 AVPR2 (0.44) AVPR2AVPR1ADRD2ATMPOLB
SCHEMBL10217134 0.83 AVPR2 (0.51) AVPR2AVPR1ADRD2ATMPOLB
SCHEMBL10217329 0.82 AVPR2 (0.45) AVPR2AVPR1ADRD2ATMPOLB
SCHEMBL10217138 0.82 AVPR2 (0.50) AVPR2AVPR1ADRD2ATMPOLB
SCHEMBL257267 0.81 AVPR2 (0.45) AVPR2AVPR1ADRD2ATMPOLB
SCHEMBL10216786 0.81 AVPR2 (0.46) AVPR2AVPR1ADRD2ATMPOLB
SCHEMBL19265304 0.81 AVPR2 (0.46) AVPR2AVPR1AATMPOLBMAPT
SCHEMBL381756 0.80 CTSA (0.51) AVPR2AVPR1A
SCHEMBL10216968 0.80 AVPR2 (0.46) AVPR2AVPR1ADRD2ATMPOLB

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-2408751-B1 Substituted 2-acetamido-5-aryl-1,2,4-triazolones and use thereof BAYER IP GMBH (DE) 2017-08-23 EP disclosed