SCHEMBL2020026

SCHEMBL2020026

C=C(c1ccc2ccc(Cl)cc2n1)c1cccc(C=O)c1CC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ AR P10275 1/20 0.32
▸ TERT O14746 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ ERN1 O75460 1/20 0.31
▸ FABP3 P05413 1/20 0.31
▸ FABP4 P15090 1/20 0.31
▸ FABP5 Q01469 1/20 0.31
▸ CBLB Q13191 1/20 0.31
▸ CYSLTR2 Q9NS75 2/20 0.31
▸ CYSLTR1 Q9Y271 2/20 0.31

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
SCHEMBL2020024 0.74 MEN1 (0.45) TDP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL8604002 0.72 CNR2 (0.38) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL4961177 0.72 ALDH1A1 (0.46) TDP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL9335553 0.72 UNG (0.41) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL5810767 0.68 MEN1 (0.34) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL3228023 0.66 CNR2 (0.43) TDP1ALDH1A1MAPTKDM4EMEN1
SCHEMBL18463776 0.66 NR4A2 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9757049 0.66 NR4A2 (0.41) ALDH1A1MAPTKDM4EMEN1LMNA
SCHEMBL9335423 0.65 PRSS1 (0.38) MAPTSMN1; SMN2NPC1ARCNR2
SCHEMBL4957637 0.65 MAPT (0.44) ALDH1A1MAPTMEN1LMNAGAA

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
WO-2009001374-A3 PREPARATION OF ETHYL-3'-[((7-CHLORO-2-QUINOLINYL)ETHENYL)PHENYL]-3-OXOPROPANOATE, A KEY INTERMEDIATE FOR MONTELUKAST SODIUM APTUIT LAURUS PVT LTD (IN) 2011-06-30 — — WO disclosed
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