SCHEMBL30280995

SCHEMBL30280995

COC(=O)c1cc(N)c(C)cc1C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.55
ALDH1A1 P00352 6/20 0.55
GAA P10253 5/20 0.55
MAPT P10636 4/20 0.55
HSD17B10 Q99714 3/20 0.55
HPGD P15428 3/20 0.55
GLA P06280 2/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
ATM Q13315 1/20 0.55
CFTR P13569 3/20 0.50
ABL1 P00519 1/20 0.49
TSHR P16473 3/20 0.47
ALOX15 P16050 1/20 0.47
CYP3A4 P08684 1/20 0.44
MAPK1 P28482 1/20 0.44
POLB P06746 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
PDGFRB P09619 1/20 0.42
FGFR1 P11362 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
SCHEMBL2318882 1.00 KDM4E (0.55) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL274700 0.92 KDM4E (0.55) KDM4EALDH1A1GAAMAPTHSD17B10
Hydrochloric Acid SCHEMBL5417457 0.90 KDM4E (0.53) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL1720999 0.90 KDM4E (0.56) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL2811951 0.90 KDM4E (0.53) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL2897750 0.88 KDM4E (0.61) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL8473587 0.87 KDM4E (0.50) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL3187202 0.85 KDM4E (0.48) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL1770853 0.85 KDM4E (0.49) KDM4EALDH1A1GAAMAPTHSD17B10
SCHEMBL2242907 0.85 KDM4E (0.51) KDM4EALDH1A1GAAMAPTHSD17B10

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
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed