SCHEMBL28884188

SCHEMBL28884188

O=C(O)c1c(Cl)cc(Cl)c2cc(Cl)cnc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 1/20 0.40
GPR35 Q9HC97 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
GRIN1 Q05586 1/20 0.37
DPP4 P27487 1/20 0.36
HAVCR2 Q8TDQ0 1/20 0.36
MAP2 P11137 1/20 0.34
POLB P06746 1/20 0.33
RECQL P46063 1/20 0.33
CASP6 P55212 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
F7 P08709 1/20 0.33
F3 P13726 1/20 0.33
RHEB Q15382 1/20 0.33
HIF1A Q16665 1/20 0.33
FABP4 P15090 3/20 0.33
FABP3 P05413 2/20 0.33
FABP5 Q01469 2/20 0.33

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
SCHEMBL29888687 1.00 ALK (0.40) ALKGPR35HCAR2L3MBTL1LMNA
SCHEMBL28884183 0.85 HAVCR2 (0.39) ALKHCAR2L3MBTL1LMNADPP4
SCHEMBL10748705 0.85 GPR35 (0.45) ALKGPR35HCAR2LMNAHAVCR2
SCHEMBL30885090 0.81 LMNA (0.38) ALKHCAR2L3MBTL1LMNAGRIN1
SCHEMBL28343044 0.81 LMNA (0.38) ALKHCAR2L3MBTL1LMNAGRIN1
Hydrochloric Acid SCHEMBL28340532 0.79 LMNA (0.37) ALKHCAR2L3MBTL1LMNAGRIN1
SCHEMBL28944748 0.75 KDM4E (0.60) L3MBTL1LMNATDP1HIF1A
Quinclorac SCHEMBL29371402 0.75 ALK (0.63) ALKHCAR2L3MBTL1LMNAGRIN1
Quinclorac SCHEMBL55011 0.75 ALK (0.63) ALKHCAR2L3MBTL1LMNAGRIN1
Quinclorac SCHEMBL4897414 0.75 ALK (0.63) ALKHCAR2L3MBTL1LMNAGRIN1

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-114994201-A Method for detecting impurities in quinclorac 江苏恒生检测有限公司 2022-09-02 CN disclosed