SCHEMBL18970606

SCHEMBL18970606

COc1c(C)cccc1-c1ccc2nccc(Cl)c2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1B Q9Y463 1/20 0.48
▸ TGFBR1 P36897 1/20 0.41
▸ TLR8 Q9NR97 2/20 0.40
▸ DOT1L Q8TEK3 1/20 0.40
▸ CYP1A2 P05177 7/20 0.40
▸ CYP3A4 P08684 7/20 0.40
▸ CYP2D6 P10635 7/20 0.40
▸ CYP2C19 P33261 7/20 0.40
▸ CLK4 Q9HAZ1 6/20 0.40
▸ TSHR P16473 5/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPK1 P28482 4/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ MAPKAPK2 P49137 1/20 0.39
▸ CTSA P10619 1/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ RAF1 P04049 2/20 0.39
▸ BRAF P15056 2/20 0.39

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
SCHEMBL18970603 0.80 MAP4K4 (0.60) DYRK1BCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29729443 0.70 LMNA (0.58) CYP1A2MAPK1LMNAKDM4E
SCHEMBL282245 0.70 LMNA (0.58) CYP1A2MAPK1LMNAKDM4E
SCHEMBL31121065 0.70 PIK3CA (0.59) DYRK1BTGFBR1CYP1A2CYP2C19ALDH1A1
SCHEMBL15638169 0.69 DOT1L (0.48) DYRK1BDOT1LCYP1A2CYP3A4CYP2D6
SCHEMBL27695762 0.68 HPGD (0.44) DYRK1BCLK4TSHRALDH1A1CTSA
SCHEMBL27415512 0.68 IKBKB (0.41) TLR8CLK4TSHRMAPK1CTSA
SCHEMBL27469863 0.68 DYRK1B (0.43) DYRK1BTLR8TSHRALDH1A1MAPK1
SCHEMBL17194888 0.67 CLK4 (0.43) TLR8CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL4758609 0.67 LMNA (0.56) DYRK1BCYP1A2CYP2C19ALDH1A1MAPK1

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
EP-3388420-B1 QUINOLINE COMPOUNDS, PREPARATION METHOD THEREOF, AND USE THEREOF AS URATE TRANSPORTER INHIBITOR DRUG HINOVA PHARMACEUTICALS INC (CN) 2022-06-22 — — EP disclosed
WO-2017097182-A1 QUINOLINE COMPOUNDS, PREPARATION METHOD THEREOF, AND USE THEREOF AS URATE TRANSPORTER INHIBITOR DRUG 成都海创药业有限公司 2017-06-15 — — WO disclosed
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