SCHEMBL28459353

SCHEMBL28459353

COc1ccc(-c2oc3ccccc3c(=O)c2-c2cccs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCG2 Q9UNQ0 3/20 0.63
KDM4E B2RXH2 8/20 0.60
ALDH1A1 P00352 8/20 0.60
CYP3A4 P08684 4/20 0.60
HSD17B10 Q99714 4/20 0.60
CA1 P00915 1/20 0.57
CA2 P00918 1/20 0.57
MAPT P10636 5/20 0.56
NPC1 O15118 3/20 0.56
RAB9A P51151 3/20 0.56
MEN1 O00255 3/20 0.53
KMT2A Q03164 3/20 0.53
GAA P10253 2/20 0.53
TSHR P16473 2/20 0.53
USP2 O75604 1/20 0.53
MAPK1 P28482 1/20 0.53
CASP1 P29466 1/20 0.53
HTT P42858 1/20 0.53
CASP7 P55210 1/20 0.53
HPGD P15428 5/20 0.53

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
SCHEMBL28167515 0.90 ABCG2 (0.54) ABCG2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL28455071 0.86 KMT2A (0.62) ABCG2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL28466563 0.84 RET (0.58) KDM4EALDH1A1CYP3A4HSD17B10CA1
SCHEMBL6978312 0.82 PTGS2 (0.60) ABCG2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL28459354 0.82 ABCG2 (0.64) ABCG2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL28579992 0.82 MAOB (0.62) ABCG2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL6978404 0.80 PTGS2 (0.60) KDM4ECA1CA2MEN1KMT2A
SCHEMBL4650702 0.78 ABCG2 (1.00) ABCG2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL27404210 0.77 ABCG2 (0.76) ABCG2KDM4EALDH1A1CYP3A4HSD17B10
SCHEMBL6971109 0.76 PTGS2 (0.65) ABCG2KDM4EALDH1A1CYP3A4HSD17B10

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-111635387-B Synthesis method of chromone derivative 都创(上海)医药科技股份有限公司 2022-04-29 CN disclosed
CN-111635387-A Synthesis method of chromone derivative 都创(上海)医药科技有限公司 2020-09-08 CN disclosed