SCHEMBL28337650

SCHEMBL28337650

CCc1nc2cc(C)c(Oc3ccc(Oc4ccccc4)cc3)cc2cc1C

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
LTA4H P09960 4/20 0.38
ADORA1 P30542 1/20 0.36
GRIN1 Q05586 2/20 0.36
GRIN2B Q13224 2/20 0.36
P2RX3 P56373 2/20 0.36
LMNA P02545 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SCN9A Q15858 1/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL30251134 0.83 SLC6A4 (0.38)
SCHEMBL23068704 0.83 SLC6A4 (0.38)
SCHEMBL28449083 0.74 MAPT (0.40) L3MBTL1TDP1P2RX3LMNAKDM4E
SCHEMBL30748201 0.73 BCAT2 (0.39) TDP1KDM4EALDH1A1MEN1KMT2A
SCHEMBL28880014 0.72 L3MBTL1 (0.38) L3MBTL1TDP1LTA4HADORA1GRIN1
SCHEMBL7068280 0.69 TDP1 (0.55) TDP1LMNAKDM4EALDH1A1HPGD
SCHEMBL10272982 0.69 KDM4E (0.50) L3MBTL1TDP1LMNAKDM4EALDH1A1
Water SCHEMBL28326791 0.68 HTR2A (0.42) L3MBTL1LMNAKDM4EALDH1A1HPGD
SCHEMBL10602950 0.67 LTA4H (0.50) L3MBTL1TDP1LTA4HALDH1A1HTT
SCHEMBL12795603 0.67 LTA4H (0.50) L3MBTL1TDP1LTA4HALDH1A1HTT

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-110452167-A Quinoline derivatives and its preparation method and application DONGGUAN HEC PESTICIDE RES AND DEVELOPMENT CO LTD 2019-11-15 CN disclosed