SCHEMBL28947282

SCHEMBL28947282

COC(=O)c1cc2c(c(O)c1Br)OCCO2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.54
ALDH1A1 P00352 5/20 0.54
PLK1 P53350 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 4/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
TP53 P04637 1/20 0.40
TARBP2 Q15633 1/20 0.38
TDP1 Q9NUW8 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
BAZ2B Q9UIF8 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CA12 O43570 2/20 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
SCHEMBL17714988 0.88 TARBP2 (0.48) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL19124972 0.79 KDM4E (0.53) KDM4EALDH1A1PLK1MEN1KMT2A
SCHEMBL24104598 0.77 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL31115471 0.77 KDM4E (0.36) KDM4EALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL1279441 0.76 KDM4E (0.66) KDM4EALDH1A1MEN1KMT2AHPGD
SCHEMBL9716376 0.75 KDM4E (0.48) KDM4EALDH1A1PLK1MEN1KMT2A
SCHEMBL15324691 0.75 HPGD (0.45) KDM4EALDH1A1PLK1MEN1KMT2A
SCHEMBL24105133 0.74 KDM4E (0.42) KDM4EALDH1A1PLK1MEN1KMT2A
SCHEMBL13315474 0.74 ALDH1A1 (0.54) KDM4EALDH1A1PLK1MEN1KMT2A
SCHEMBL13315467 0.73 ALDH1A1 (0.47) KDM4EALDH1A1PLK1MEN1KMT2A

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-115697994-A Fused quinazoline derivative, preparation method and medical application thereof 江苏恒瑞医药股份有限公司 2023-02-03 CN disclosed