SCHEMBL22041587

SCHEMBL22041587

CCc1nc2cc(C)c(Oc3ccc4c(c3)OCO4)cc2c(OC(C)=O)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
MAPT P10636 6/20 0.39
ALDH1A1 P00352 6/20 0.39
KDM4E B2RXH2 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EGFR P00533 1/20 0.37
ERBB4 Q15303 1/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
TSHR P16473 4/20 0.37
GAA P10253 2/20 0.37
ALOX15 P16050 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CRHBP P24387 1/20 0.36

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
SCHEMBL29659631 1.00 LMNA (0.43) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL22041591 0.85 LMNA (0.40) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL22084944 0.84 NPSR1 (0.37) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL28449083 0.83 MAPT (0.40) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL28443373 0.82 NPSR1 (0.34) LMNAMAPTALDH1A1NPSR1KMT2A
SCHEMBL28701449 0.81 SLC6A2 (0.35) MAPTNPSR1
SCHEMBL30356307 0.76 PDE10A (0.34) ALDH1A1KDM4E
SCHEMBL22085053 0.76 GAPDH (0.38) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL22084259 0.76 CNR2 (0.43) LMNAMAPTALDH1A1KDM4ENPSR1
SCHEMBL15929951 0.75 ALDH1A1 (0.45) LMNAMAPTALDH1A1KDM4ENPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111566088-B Quinoline derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2022-07-08 CN disclosed
CN-111566088-A Quinoline derivative and preparation method and application thereof 东莞市东阳光农药研发有限公司 2020-08-21 CN disclosed
WO-2020113554-A1 QUINOLINE DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2020-06-11 WO disclosed
WO-2020113554-A1 QUINOLINE DERIVATIVE AND PREPARATION METHOD AND APPLICATION THEREOF 东莞市东阳光农药研发有限公司 2020-06-11 WO disclosed