SCHEMBL28458798

SCHEMBL28458798

Cc1ccc2c(=O)c(-c3ccsc3)c(-c3ccccc3)oc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPT P10636 6/20 0.48
CYP3A4 P08684 5/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2C19 P33261 2/20 0.48
TSHR P16473 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
HPGD P15428 3/20 0.46
HTT P42858 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PLA2G2A P14555 1/20 0.45
PLA2G4A P47712 1/20 0.45
HSD17B10 Q99714 3/20 0.44
ALOX15 P16050 2/20 0.44
CASP1 P29466 1/20 0.44

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
SCHEMBL28455072 0.84 PLA2G2A (0.58) KDM4EALDH1A1MAPTCYP3A4TSHR
SCHEMBL28458797 0.81 KDM4E (0.47) KDM4EALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL28450673 0.78 KMT2A (0.49) KDM4EALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL6244040 0.77 MAPT (0.72) KDM4EALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL16378927 0.76 KDM4E (0.50) KDM4EALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL28898265 0.76 CYP2E1 (0.39) KDM4EMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL15676210 0.76 MAPT (0.79) KDM4EALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL12413371 0.75 KDM4E (0.67) KDM4EALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL28462269 0.74 KDM4E (0.50) KDM4EALDH1A1MAPTCYP3A4CYP2C9
SCHEMBL28466564 0.74 RET (0.59) KDM4EALDH1A1CYP3A4TSHRMEN1

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