SCHEMBL19300252

SCHEMBL19300252

CNC(=O)c1cnc(C)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.49
HDAC6 Q9UBN7 3/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
SMYD3 Q9H7B4 1/20 0.44
GRM5 P41594 1/20 0.44
HPGDS O60760 2/20 0.42
PSMD14 O00487 1/20 0.42
STAMBP O95630 1/20 0.42
COPS5 Q92905 1/20 0.42
HDAC1 Q13547 2/20 0.42
HPGD P15428 1/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PLK1 P53350 5/20 0.41
MMP13 P45452 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
MKNK2 Q9HBH9 1/20 0.41
SCN9A Q15858 1/20 0.40

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
SCHEMBL12933262 0.82 HDAC6 (0.63) HDAC6HDAC2HDAC8HDAC1
SCHEMBL16771926 0.80 BAZ2B (0.47) BAZ2BHDAC6HDAC2HDAC8GRM5
SCHEMBL24051970 0.80 HDAC6 (0.67) BAZ2BHDAC6HDAC2HDAC8GRM5
SCHEMBL665987 0.80 JUN (0.47) BAZ2BHDAC6HDAC2HDAC8GRM5
SCHEMBL7323223 0.80 SMYD3 (0.50) HDAC6HDAC2SMYD3HDAC1HTT
SCHEMBL185619 0.78 ALDH1A1 (0.58) HPGDTSHRSMN1; SMN2
SCHEMBL20757528 0.77 BAZ2B (0.45) BAZ2BHDAC6HDAC2HDAC8GRM5
SCHEMBL3952478 0.77 HDAC6 (0.72) BAZ2BHDAC6HDAC2HDAC8GRM5
SCHEMBL30445356 0.77 BAZ2B (0.45) BAZ2BHDAC6HDAC2HDAC8GRM5
SCHEMBL28134267 0.77 PLK1 (0.50) BAZ2BHDAC6HDAC2HDAC8GRM5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3419974-B1 PROCESS FOR THE SEPARATION OF ENANTIOMERS OF PIPERAZINE DERIVATIVES ASCENEURON SA (CH) 2021-05-05 EP disclosed
EP-3419976-B1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON SA (CH) 2021-04-07 EP disclosed
WO-2017144637-A1 ACID ADDITION SALTS OF PIPERAZINE DERIVATIVES ASCENEURON S. A. (CH) 2017-08-31 WO disclosed
WO-2017144635-A1 PROCESS FOR THE SEPARATION OF ENANTIOMERS OF PIPERAZINE DERIVATIVES ASCENEURON S. A. (CH) 2017-08-31 WO disclosed