SCHEMBL29137963

SCHEMBL29137963

CC(C)(C)c1nc(OC(N)=O)cc2cc(F)cc(CO)c12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.33
CYP4A11 Q02928 1/20 0.33
IKBKB O14920 1/20 0.31
RIPK1 Q13546 1/20 0.31
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL29137941 0.71 GRM5 (0.33) CYP4F2CYP4A11
SCHEMBL28399302 0.60 POLB (0.37) GAA
SCHEMBL28643764 0.59 HSD17B10 (0.42) IKBKBKMT2A
SCHEMBL8964871 0.59 EGFR (0.43) KMT2A
SCHEMBL29137925 0.59 MAPT (0.44) KMT2A
SCHEMBL29079785 0.59 NNMT (0.44) GAAKMT2A
SCHEMBL4707103 0.59 PARP1 (0.35)
SCHEMBL28657545 0.58 NOTUM (0.35) KMT2A
SCHEMBL29239420 0.58 MEN1 (0.32) KMT2A
SCHEMBL28561923 0.58 NNMT (0.30)

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-117062804-A 1, 3-substituted cyclobutyl derivatives and their use 诺华股份有限公司 2023-11-14 CN disclosed