SCHEMBL31025720

SCHEMBL31025720

COc1ccc2c(c1)C=CCN2OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.42
SIGMAR1 Q99720 2/20 0.39
PARK7 Q99497 1/20 0.38
LTA4H P09960 1/20 0.37
TSHR P16473 3/20 0.37
KCNA5 P22460 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ABCB1 P08183 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35

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
Iodide SCHEMBL30293255 0.72 LMNA (0.39) TSHRALDH1A1DRD2
SCHEMBL4299024 0.72 KDM4E (0.41) TSHRALDH1A1
SCHEMBL30293250 0.71 GSK3A (0.42) SIGMAR1TSHRALDH1A1
SCHEMBL3698883 0.71 CA12 (0.37) TSHRALDH1A1DRD2
SCHEMBL29496906 0.71 ALOX5 (0.44) MAOBALDH1A1
Iodide SCHEMBL29405935 0.71 KDM4E (0.40) TSHRALDH1A1
SCHEMBL1352936 0.71 NOTUM (0.44) TSHRALDH1A1
Iodide SCHEMBL28887683 0.71 KDM4E (0.40) TSHRALDH1A1
SCHEMBL28611007 0.69 KDM4E (0.36) TSHRALDH1A1
SCHEMBL28426315 0.69 BRD4 (0.38) LTA4HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115433124-B Preparation method of 4-chloro-6-methoxy-7-benzyloxy quinoline 常州佳德医药科技有限公司 2024-08-06 CN disclosed