SCHEMBL31350951

SCHEMBL31350951

Nc1cc2cnn(CCC3OCCO3)c2cc1-c1ccoc1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 3/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
CDK2 P24941 3/20 0.31
HDAC3 O15379 2/20 0.31
HDAC2 Q92769 2/20 0.31
CCNA2 P20248 2/20 0.31
CCNA1 P78396 2/20 0.31
HDAC1 Q13547 1/20 0.31
CDC7 O00311 1/20 0.30
HRH4 Q9H3N8 1/20 0.30
CSNK2A1 P68400 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
SCHEMBL31351102 0.83 GLS (0.36)
SCHEMBL31351083 0.80 TTBK1 (0.36) CHEK1HTR2AHTR2CHTR2BCDK2
SCHEMBL31351105 0.79 CARM1 (0.40) CHEK1HTR2AHTR2CHTR2BCDK2
SCHEMBL31350979 0.77 KDM1A (0.34) CHEK1HTR2AHTR2CHTR2BCDK2
SCHEMBL31350968 0.77 HDAC3 (0.31) HDAC3HDAC2HDAC1HRH4CSNK2A1
SCHEMBL8555760 0.74 CHEK1 (0.43) CHEK1HTR2AHTR2CHTR2BHDAC3
SCHEMBL31351205 0.73 CHEK1 (0.40) CHEK1
SCHEMBL31351129 0.64 GLS (0.41) HDAC3HDAC2
SCHEMBL31351235 0.63 GLS (0.36)
SCHEMBL8682171 0.62 SIRT2 (0.42) HDAC3HDAC2

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
WO-2025003987-A1 NOVEL CARBOXAMIDE DERIVATIVE COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 동화약품주식회사 2025-01-02 WO disclosed