SCHEMBL29129807

SCHEMBL29129807

CC(C)(C)c1[nH]nc(C(F)(F)F)c1C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.32
GLRB P48167 1/20 0.32
KDM4E B2RXH2 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL4879037 0.87 L3MBTL1 (0.33) KDM4EPOLBMAPTKMT2A
SCHEMBL14822491 0.78 KDM4E (0.45) KDM4EPOLBMAPTKMT2AHCAR2
SCHEMBL22637177 0.76 PDE4D (0.39) GLRA3GLRBKDM4EKMT2AHCAR2
SCHEMBL4625124 0.74 HSD17B10 (0.35) KDM4E
SCHEMBL29129805 0.74 GLRA3 (0.31) GLRA3GLRBHCAR2
SCHEMBL28359144 0.74 HCAR2 (0.35) KDM4EPOLBMAPTKMT2AHCAR2
SCHEMBL3451427 0.74 HCAR2 (0.49) KDM4EPOLBMAPTKMT2AHCAR2
SCHEMBL23252308 0.72 HCAR2 (0.36) GLRA3GLRBKDM4EPOLBMAPT
SCHEMBL4650593 0.71
SCHEMBL1864417 0.71 HCAR2 (0.35) KDM4EPOLBMAPTKMT2AHCAR2

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-117070968-A Synthesis method of difluoromethyl alkyl pyrazole carboxylic acid 山东京博农化科技股份有限公司 2023-11-17 CN disclosed