SCHEMBL21377286

SCHEMBL21377286

CNc1ccc(C)cc1CNC=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
MAPT P10636 1/20 0.33
PTGS2 P35354 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
SRC P12931 1/20 0.33
HTT P42858 1/20 0.33
HPGD P15428 1/20 0.33
AMY1A P0DUB6 1/20 0.33
PTGS1 P23219 1/20 0.32

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
SCHEMBL5542553 0.80 NPC1 (0.46) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL23997635 0.79 KDM4E (0.42) ADH1BADH1CADH1AADH7ALDH1A1
SCHEMBL8293208 0.79 MEN1 (0.35) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL23652392 0.79 MEN1 (0.37) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL16867407 0.77 CYP1A2 (0.43) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL10565368 0.77 ADH1B (0.37) ADH1BADH1CADH1AADH7PTGS2
SCHEMBL5545625 0.77 KDM4E (0.50) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL21377524 0.75 SRC (0.52) KMT2AMEN1SMN1; SMN2CYP1A2CYP2C9
SCHEMBL22854882 0.74 HPGD (0.42) ADH1BADH1CADH1AADH7KMT2A
SCHEMBL26568731 0.74 P2RX7 (0.43) ADH1BADH1CADH1AADH7ALDH1A1

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-3288945-B1 IMIDAZOPYRAZINES AND PYRAZOLOPYRIMIDINES AND THEIR USE AS AMPA RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2019-09-18 EP disclosed