SCHEMBL29617331

SCHEMBL29617331

Cc1cc(C)c2[nH]c(=O)cc(C)c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.60
SMN1; SMN2 Q16637 2/20 0.51
NQO2 P16083 5/20 0.50
CYP19A1 P11511 2/20 0.50
ABCB1 P08183 1/20 0.50
KDM4E B2RXH2 4/20 0.49
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.49
GLA P06280 2/20 0.49
GAA P10253 2/20 0.49
HPGD P15428 2/20 0.49
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIN1 Q05586 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
GRIN3A Q8TCU5 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL19689950 1.00 MAPT (0.60) MAPTSMN1; SMN2NQO2CYP19A1ABCB1
SCHEMBL1128687 0.80 NQO2 (0.47) MAPTSMN1; SMN2NQO2CYP19A1KDM4E
SCHEMBL7296846 0.80 KDM4E (0.54) MAPTSMN1; SMN2NQO2CYP19A1KDM4E
SCHEMBL19689003 0.80 NQO2 (0.73) MAPTNQO2CYP19A1KDM4EHSD17B10
SCHEMBL28817248 0.77 NQO2 (0.76) MAPTNQO2CYP19A1KDM4EHSD17B10
SCHEMBL20090288 0.77 MAPT (0.61) MAPTSMN1; SMN2ABCB1KDM4EHSD17B10
SCHEMBL29364610 0.77 MAPT (0.61) MAPTSMN1; SMN2ABCB1KDM4EHSD17B10
SCHEMBL29975937 0.77 MAPT (0.61) MAPTSMN1; SMN2ABCB1KDM4EHSD17B10
SCHEMBL16376816 0.75 KDM4E (0.52) MAPTSMN1; SMN2NQO2CYP19A1KDM4E
SCHEMBL17478972 0.74 SMN1; SMN2 (0.55) MAPTSMN1; SMN2NQO2CYP19A1KDM4E

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-112362797-B Method for detecting quinolone drugs in feed 浙江国正检测技术有限公司 2022-05-27 CN claimed
CN-112362797-B Method for detecting quinolone drugs in feed 浙江国正检测技术有限公司 2022-05-27 CN disclosed