SCHEMBL4011946

SCHEMBL4011946

Oc1ccc(Cl)c(-c2ccnc3c(Cl)cccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.49
▸ MAPK14 Q16539 3/20 0.45
▸ PDE4D Q08499 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ LMNA P02545 3/20 0.44
▸ HSP90AA1 P07900 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ MMP14 P50281 3/20 0.44
▸ ALDH1A1 P00352 3/20 0.44
▸ HTT P42858 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ TP53 P04637 2/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ ALOX15 P16050 2/20 0.44
▸ ALOX12 P18054 2/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ OPRK1 P41145 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44

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
SCHEMBL4009254 0.84 NR1H2 (0.47) MAPK14PDE4DKDM4ESMN1; SMN2LMNA
SCHEMBL4016936 0.84 HTR1A (0.46) MAPK14PDE4DKDM4ESMN1; SMN2LMNA
SCHEMBL4020656 0.84 PTGDR2 (0.41) MAPK14PDE4DKDM4ESMN1; SMN2LMNA
SCHEMBL4016535 0.82 PIK3CD (0.61) NR4A2PDE4DKDM4ESMN1; SMN2LMNA
SCHEMBL4012181 0.82 PTGDR2 (0.45) MAPK14PDE4DKDM4ESMN1; SMN2LMNA
SCHEMBL27809134 0.81 NR4A2 (0.51) NR4A2PDE4DKDM4ESMN1; SMN2LMNA
SCHEMBL4017565 0.78 NR1H2 (0.47) NR4A2MAPK14PDE4DKDM4ESMN1; SMN2
SCHEMBL27809136 0.78 NR4A2 (0.51) NR4A2MAPK14PDE4DKDM4ESMN1; SMN2
SCHEMBL2451386 0.78 SMN1; SMN2 (0.40) NR4A2MAPK14PDE4DKDM4ESMN1; SMN2
SCHEMBL4017818 0.77 NR4A2 (0.54) NR4A2MAPTL3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541751-A Quinoline compounds WYETH CORP (US) 2009-09-23 — — CN disclosed
EP-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 — — EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 — — WO disclosed
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