SCHEMBL30791002

SCHEMBL30791002

C=CCC1=C(c2ccccc2C2=C(CC=C)C(=O)NC2=O)C(=O)NC1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.43
CASP3 P42574 2/20 0.38
CASP2 P42575 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CASP8 Q14790 1/20 0.38
PDGFRA P16234 1/20 0.37
FER P16591 1/20 0.37
LTK P29376 1/20 0.37
CDK8 P49336 1/20 0.37
ACVR1 Q04771 1/20 0.37
LRRK2 Q5S007 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ALDH1A1 P00352 2/20 0.35
CCNE2 O96020 2/20 0.35
CDK4 P11802 2/20 0.35
CCND1 P24385 2/20 0.35
CCNE1 P24864 2/20 0.35
CDK2 P24941 2/20 0.35
PRKD3 O94806 1/20 0.35

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
SCHEMBL3805627 0.84 GSK3B (0.45) GSK3BCAMK2DSIRT2
SCHEMBL460153 0.76 ALDH1A1 (0.33) ALDH1A1NPSR1
SCHEMBL8942748 0.72 CASP3 (0.48) CASP3ALDH1A1GABRA1GABRB2MEN1
Phthalimide SCHEMBL28728702 0.69 GSK3B (0.62) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL8989653 0.67
SCHEMBL4384017 0.67 NPSR1 (0.33) NPSR1
SCHEMBL4591044 0.67 PTPN1 (0.31)
SCHEMBL15923992 0.67 NPSR1 (0.33) ALDH1A1NPSR1
Phthalimide SCHEMBL8099577 0.67 GSK3B (0.47) GSK3BCASP3CASP2CASP7CASP6
SCHEMBL5442626 0.67 GSK3B (0.42) GSK3BCASP3CASP2CASP7CASP6

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-113692421-B Pumpable, thermally curable and expandable formulation 汉高股份有限及两合公司 2024-03-08 CN disclosed