SCHEMBL28622697

SCHEMBL28622697

COC(=O)c1ccc(C(=O)c2ccc(Br)c3cccnc23)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 6/20 0.49
MEN1 O00255 4/20 0.49
COMT P21964 1/20 0.48
EGLN1 Q9GZT9 1/20 0.47
TP53 P04637 1/20 0.44
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
MAP2K1 Q02750 1/20 0.43
ALOX15 P16050 1/20 0.43
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
POLB P06746 2/20 0.41
KAT2B Q92831 1/20 0.41

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
SCHEMBL31056854 0.86 KDM4E (0.62) KDM4EKMT2AMEN1EGLN1TP53
SCHEMBL15054071 0.86 KDM4E (0.62) KDM4EKMT2AMEN1EGLN1TP53
SCHEMBL28624165 0.79 ALDH1A1 (0.58) KDM4EKMT2AMEN1EGLN1ALDH1A1
SCHEMBL23360051 0.78 KMT2A (0.53) KDM4EKMT2AMEN1COMTEGLN1
SCHEMBL17113034 0.78 KDM4E (0.71) KDM4EKMT2AMEN1EGLN1TP53
SCHEMBL28615432 0.78 EGLN1 (0.54) KDM4EKMT2AMEN1EGLN1TP53
SCHEMBL17113200 0.75 PSMD14 (0.56) KDM4EKMT2AMEN1TP53ALDH1A1
SCHEMBL27872880 0.75 KMT2A (0.46) KDM4EKMT2AMEN1EGLN1TP53
SCHEMBL26984289 0.75 ELANE (0.49) KDM4EKMT2AMEN1TP53ALDH1A1
SCHEMBL31467097 0.75 ELANE (0.49) KDM4EKMT2AMEN1TP53ALDH1A1

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-113214149-B Synthesis method of phenyl (quinoline-8-yl) ketone derivative 江苏师范大学 2022-08-02 CN disclosed
CN-113214149-A Synthesis method of phenyl (quinoline-8-yl) ketone derivative 江苏师范大学 2021-08-06 CN disclosed