SCHEMBL30410282

SCHEMBL30410282

COC(=O)c1cc(C#N)c(CC2CCC2)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
KDM4E B2RXH2 7/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 5/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
KMT2A Q03164 1/20 0.40
PDGFRB P09619 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
FLT1 P17948 1/20 0.38
FGFR3 P22607 1/20 0.38
KDR P35968 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL12488931 1.00 GAA (0.43) GAAKDM4EALDH1A1HPGDCRHBP
SCHEMBL19559116 0.89 KDM4E (0.46) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL18432591 0.84 PDGFRB (0.43) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL12489156 0.81 PDGFRB (0.40) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL12488184 0.79 GAA (0.47) GAAKDM4EALDH1A1HPGDCRHBP
SCHEMBL31312529 0.79 GAA (0.47) GAAKDM4EALDH1A1HPGDCRHBP
SCHEMBL28974072 0.78 KDM4E (0.41) GAAKDM4EALDH1A1HPGDCRHBP
SCHEMBL21451503 0.78 PDGFRB (0.38) KDM4EALDH1A1HPGDMAPTKMT2A
SCHEMBL30280685 0.78 PDGFRB (0.38) GAAKDM4EALDH1A1HPGDMAPT
SCHEMBL12489199 0.78 PDGFRB (0.38) GAAKDM4EALDH1A1HPGDMAPT

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