SCHEMBL31472977

SCHEMBL31472977

CCCn1c(-c2ccc(C(=O)NO)cc2)nc2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.61
TSHR P16473 3/20 0.61
MEN1 O00255 3/20 0.61
KMT2A Q03164 3/20 0.61
HPGD P15428 3/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
HTT P42858 2/20 0.61
HSD17B10 Q99714 1/20 0.61
ALDH1A1 P00352 5/20 0.60
NPSR1 Q6W5P4 2/20 0.60
LMNA P02545 1/20 0.60
GAA P10253 1/20 0.60
HDAC1 Q13547 3/20 0.60
HDAC6 Q9UBN7 3/20 0.60
USP2 O75604 1/20 0.60
PPARG P37231 1/20 0.60
NCOA2 Q15596 1/20 0.60
NCOA1 Q15788 1/20 0.60
NCOA3 Q9Y6Q9 1/20 0.60
RXFP1 Q9HBX9 1/20 0.57

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
SCHEMBL28592959 1.00 KDM4E (0.61) KDM4ETSHRMEN1KMT2AHPGD
SCHEMBL28918178 0.93 TP53 (0.60) KDM4ETSHRMEN1KMT2AHPGD
SCHEMBL31472975 0.93 TP53 (0.60) KDM4ETSHRMEN1KMT2AHPGD
SCHEMBL31472968 0.90 HDAC6 (0.62) KDM4ETSHRMEN1KMT2AHPGD
SCHEMBL31472964 0.87 MAPT (0.65) KDM4ETSHRMEN1KMT2AHPGD
SCHEMBL28608855 0.87 MAPT (0.65) KDM4ETSHRMEN1KMT2AHPGD
SCHEMBL28600078 0.85 DRD2 (0.69) KDM4ETSHRMEN1KMT2AHPGD
SCHEMBL5944072 0.83 HDAC1 (0.73) KDM4EMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL12974480 0.81 KDM4E (0.67) KDM4ETSHRMEN1KMT2AHPGD
SCHEMBL31472999 0.81 TP53 (0.63) KDM4ETSHRMEN1KMT2ASMN1; SMN2

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-113166073-B Benzoheterocyclic compound and composition for preventing or treating cancer disease containing the same as active ingredient 启明大学校 产学协力团 2025-03-11 CN disclosed