SCHEMBL28898264

SCHEMBL28898264

Cc1cccc2c(=O)c(-c3cccs3)c(-c3ccccc3)oc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
F2 P00734 1/20 0.39
HPGD P15428 1/20 0.39
ABCG2 Q9UNQ0 2/20 0.38
ABCC1 P33527 1/20 0.38
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.37
PKM P14618 1/20 0.37

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
SCHEMBL28898265 0.81 CYP2E1 (0.39) KDM4EMEN1KMT2AGAASMN1; SMN2
SCHEMBL28455071 0.80 KMT2A (0.62) KDM4EMEN1KMT2AGAAHTT
SCHEMBL31723157 0.78 MCL1 (0.45) KDM4EMEN1KMT2AGAAHTT
SCHEMBL20919285 0.78 MCL1 (0.45) KDM4EMEN1KMT2AGAAHTT
SCHEMBL14266190 0.77 LMNA (0.52) KDM4EMEN1KMT2AGAAHTT
SCHEMBL28458797 0.77 KDM4E (0.47) KDM4EMEN1KMT2AGAAHTT
SCHEMBL14266213 0.76 DDR2 (0.62) KDM4EMEN1KMT2AGAATSHR
SCHEMBL15676500 0.74 ABCG2 (0.65) KDM4EMEN1KMT2AGAAHTT
SCHEMBL29129594 0.74 ABCG2 (0.44) KDM4EMEN1KMT2AGAATSHR
SCHEMBL14266219 0.72 ALDH1A1 (0.58) KDM4EMEN1KMT2AGAAHTT

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