SCHEMBL28615432

SCHEMBL28615432

COC(=O)c1ccc(C(=O)c2c(Br)ccc3cccnc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.54
ALDH1A1 P00352 5/20 0.52
ALOX15 P16050 1/20 0.50
HTT P42858 1/20 0.50
SLC40A1 Q9NP59 3/20 0.47
MAPT P10636 5/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 4/20 0.43
HDAC6 Q9UBN7 2/20 0.43
METAP2 P50579 1/20 0.43
METAP1 P53582 1/20 0.43
KDM4E B2RXH2 4/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
RAB9A P51151 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
SCHEMBL28624165 0.80 ALDH1A1 (0.58) EGLN1ALDH1A1ALOX15HTTSLC40A1
SCHEMBL28622697 0.78 KDM4E (0.51) EGLN1ALDH1A1ALOX15HTTMAPT
SCHEMBL27908512 0.75 ALDH1A1 (0.54) EGLN1ALDH1A1ALOX15HTTMAPT
SCHEMBL20944081 0.75 ALOX15 (0.58) EGLN1ALDH1A1ALOX15HTTSLC40A1
SCHEMBL9945612 0.75 LMNA (0.51) EGLN1ALDH1A1ALOX15HTTSLC40A1
SCHEMBL27908517 0.74 TDP1 (0.48) ALDH1A1ALOX15HTTMAPTTDP1
SCHEMBL2951217 0.74 ALDH1A1 (0.58) EGLN1ALDH1A1ALOX15HTTSLC40A1
SCHEMBL27994689 0.72 PSMD14 (0.64) EGLN1ALDH1A1ALOX15HTTSLC40A1
SCHEMBL19616631 0.72 HDAC6 (0.73) HTTMAPTTDP1LMNAHDAC6
SCHEMBL19616872 0.72 HDAC6 (0.70) EGLN1ALDH1A1ALOX15HTTSLC40A1

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