SCHEMBL31340947

SCHEMBL31340947

CC(C)(C)OC(=O)Nc1csc(-c2ccc(C(=O)O)nc2)n1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 2/20 0.47
SREBF2 Q12772 1/20 0.43
GSK3B P49841 1/20 0.41
DYRK1A Q13627 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CDK5 Q00535 4/20 0.40
CDK5R1 Q15078 4/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
GPR119 Q8TDV5 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2A1 P68400 1/20 0.38
KDM4E B2RXH2 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ECE1 P42892 1/20 0.36
BCL2 P10415 1/20 0.36

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
SCHEMBL31341058 0.90 HPGDS (0.46) HPGDSSREBF2GSK3BDYRK1ACDK5
SCHEMBL31341055 0.89 RAB9A (0.46) HPGDSSREBF2GSK3BDYRK1A
SCHEMBL27138550 0.86 HPGDS (0.52) HPGDSSREBF2GSK3BDYRK1AALDH1A1
SCHEMBL31340994 0.82 CHEK1 (0.48) HPGDSSREBF2GSK3BDYRK1ACDK5
SCHEMBL31341012 0.82 CDK5 (0.57) HPGDSSREBF2CDK5CDK5R1CCNA2
SCHEMBL3764652 0.80 SREBF2 (0.44) HPGDSSREBF2GSK3BDYRK1ACDK5
SCHEMBL3258037 0.79 CDK5 (0.55) SREBF2DYRK1AALDH1A1CDK5CDK5R1
SCHEMBL25362587 0.78 HPGDS (0.55) HPGDSSREBF2ALDH1A1KDM4EL3MBTL1
SCHEMBL21682898 0.78 LMNA (0.48) SREBF2CDK5CDK5R1KDM4EMAPK1
SCHEMBL31341023 0.78 CDK5 (0.44) HPGDSSREBF2GSK3BDYRK1ACDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743081-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 EP disclosed
WO-2025019407-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-01-23 WO disclosed