SCHEMBL29624930

SCHEMBL29624930

CCn1c(CNC(=O)OC(C)(C)C)nc2ccc(C(=O)O)cc21

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 13/20 0.50
HTT P42858 1/20 0.45
BRD4 O60885 1/20 0.44
PTGER4 P35408 1/20 0.43
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL20209601 1.00 ACSS2 (0.50) ACSS2HTTBRD4PTGER4HDAC6
SCHEMBL2022140 0.91 HDAC6 (0.52) HTTBRD4PTGER4HDAC6
SCHEMBL20209579 0.91 ACSS2 (0.47) ACSS2HTTBRD4
SCHEMBL12635683 0.90 ACSS2 (0.53) ACSS2HTTBRD4
SCHEMBL12635694 0.87 HTT (0.52) ACSS2HTTBRD4
SCHEMBL12636253 0.87 ACSS2 (0.47) ACSS2HTTBRD4
SCHEMBL20209591 0.86 BRD4 (0.49) ACSS2HTTBRD4
SCHEMBL12635703 0.86 BRD4 (0.49) ACSS2HTTBRD4
SCHEMBL12634807 0.86 ACSS2 (0.46) ACSS2HTTBRD4HDAC6
SCHEMBL20935024 0.85 ACSS2 (0.46) ACSS2HTTBRD4

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
CN-110214141-B Benzodiazolium compounds as ENaC inhibitors 企业治疗学有限公司 2022-05-31 CN disclosed