SCHEMBL14537565

SCHEMBL14537565

CCOC(=O)c1cnc2cc(Cl)ccc2c1Sc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.70
▸ NPSR1 Q6W5P4 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ GAA P10253 2/20 0.56
▸ ATM Q13315 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ ALDH1A1 P00352 4/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ NMT1 P30419 3/20 0.51
▸ CYP1A2 P05177 3/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ CYP2C19 P33261 2/20 0.51
▸ NMT2 O60551 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ TDP1 Q9NUW8 2/20 0.50
▸ MEN1 O00255 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ HPGD P15428 1/20 0.45

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
SCHEMBL14537568 0.89 MAPT (0.72) MAPTNPSR1KDM4EGAAATM
SCHEMBL14537564 0.86 MAPT (0.79) MAPTNPSR1KDM4EGAAATM
SCHEMBL14537571 0.84 MAPT (0.76) MAPTNPSR1KDM4EGAAATM
SCHEMBL14537566 0.84 MAPT (0.69) MAPTNPSR1KDM4EGAAATM
SCHEMBL14537569 0.81 MAPT (0.70) MAPTNPSR1KDM4EGAAATM
SCHEMBL8884456 0.80 MAPT (0.64) MAPTNPSR1KDM4EGAAATM
SCHEMBL1178069 0.80 KMT2A (0.58) MAPTKDM4EGAAALDH1A1CYP3A4
SCHEMBL1178859 0.79 MEN1 (0.55) MAPTKDM4EGAAALDH1A1CYP3A4
SCHEMBL14537586 0.79 CYP3A4 (0.50) MAPTKDM4EALDH1A1CYP3A4CYP1A2
SCHEMBL23575505 0.78 MAPT (0.68) MAPTKDM4EGAAALDH1A1SMN1; SMN2

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
US-8349867-B2 Quinoline compounds, intermediates, preparation methods and uses thereof SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2013-01-08 — — US disclosed
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