SCHEMBL20886342

SCHEMBL20886342

COc1ccnc(C(=O)NC(C)C(C)=O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
APAF1 O14727 1/20 0.36
NSD2 O96028 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
KDM4C Q9H3R0 1/20 0.35
BBOX1 O75936 2/20 0.35
EGLN1 Q9GZT9 2/20 0.35
FTO Q9C0B1 1/20 0.35
LMNA P02545 4/20 0.35
KDM4E B2RXH2 3/20 0.34
TP53 P04637 4/20 0.34
HTT P42858 3/20 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
SCHEMBL26430243 1.00 CTSA (0.37) CTSATAS1R3TAS1R1L3MBTL1APAF1
SCHEMBL26430148 1.00 CTSA (0.37) CTSATAS1R3TAS1R1L3MBTL1APAF1
SCHEMBL30473365 0.89 MEN1 (0.41) CTSATAS1R3TAS1R1L3MBTL1APAF1
SCHEMBL20892686 0.89 MEN1 (0.41) CTSATAS1R3TAS1R1L3MBTL1APAF1
SCHEMBL29501804 0.89 KDM4C (0.47) CTSATAS1R3TAS1R1L3MBTL1KDM4C
SCHEMBL17892017 0.89 KDM4C (0.47) CTSATAS1R3TAS1R1L3MBTL1KDM4C
SCHEMBL21914754 0.89 KDM4C (0.47) CTSATAS1R3TAS1R1L3MBTL1KDM4C
SCHEMBL20876090 0.89 KDM4C (0.47) CTSATAS1R3TAS1R1L3MBTL1KDM4C
SCHEMBL20886341 0.88 CTSA (0.37) CTSATAS1R3TAS1R1L3MBTL1APAF1
SCHEMBL20892693 0.86 TAS1R3 (0.40) CTSATAS1R3TAS1R1L3MBTL1NPC1

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
WO-2019068812-A1 MICROBIOCIDAL PICOLINAMIDE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2019-04-11 WO disclosed