SCHEMBL29952911

SCHEMBL29952911

CC(C)(C)OC(=O)NCc1cc(F)ccc1B(O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.42
GRM2 Q14416 1/20 0.41
RPS6KA1 Q15418 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
KCNA5 P22460 1/20 0.39
DRD2 P14416 2/20 0.38
BRD4 O60885 1/20 0.37
CXCR1 P25024 1/20 0.37
CXCR2 P25025 1/20 0.37
NQO2 P16083 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CACNA1H O95180 1/20 0.37
CACNA1B Q00975 1/20 0.37
CACNA1C Q13936 1/20 0.37
DDR1 Q08345 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL870480 1.00 KDM4A (0.42) KDM4AGRM2RPS6KA1GPR119CTSS
SCHEMBL29957341 0.89 KDM4A (0.42) KDM4AGRM2RPS6KA1GPR119CTSS
SCHEMBL13167894 0.84 IDO1 (0.47) KDM4AKCNA5DRD2DDR1SMN1; SMN2
SCHEMBL23735207 0.83 EGFR (0.44) KDM4AGRM2RPS6KA1GPR119CTSS
SCHEMBL3593392 0.83 GFER (0.45) KDM4ABRD4L3MBTL1
SCHEMBL27669311 0.82 GRM2 (0.47) KDM4AGRM2RPS6KA1GPR119CTSS
SCHEMBL23105713 0.82 KDM4A (0.43) KDM4AGRM2RPS6KA1GPR119CTSS
SCHEMBL2443309 0.82 GRM2 (0.44) KDM4AGRM2RPS6KA1GPR119CTSS
SCHEMBL29555276 0.82 KDM4A (0.43) KDM4AGRM2RPS6KA1GPR119CTSS
SCHEMBL1654680 0.82 KDM4A (0.45) KDM4AGRM2RPS6KA1CTSSCTSK

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed