SCHEMBL4020656

SCHEMBL4020656

N#Cc1cccc2c(-c3cc(O)ccc3Cl)ccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.41
PDE4D Q08499 4/20 0.40
AR P10275 2/20 0.39
LRRK2 Q5S007 3/20 0.39
PIK3CD O00329 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
HSP90AA1 P07900 3/20 0.38
MAPT P10636 3/20 0.38
MMP14 P50281 3/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TP53 P04637 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
ALOX12 P18054 2/20 0.38
SLC6A2 P23975 2/20 0.38
OPRK1 P41145 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 2/20 0.38

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
SCHEMBL4011946 0.84 NR4A2 (0.49) PTGDR2PDE4DPIK3CDKDM4ELMNA
SCHEMBL4011959 0.81 LRRK2 (0.42) PTGDR2ARLRRK2HSP90AA1MAPT
SCHEMBL4016601 0.80 PIK3CD (0.57) PTGDR2ARLRRK2PIK3CDGSK3B
SCHEMBL4016936 0.77 HTR1A (0.46) PTGDR2PDE4DPIK3CDKDM4ELMNA
SCHEMBL4009254 0.77 NR1H2 (0.47) PTGDR2PDE4DPIK3CDKDM4ELMNA
SCHEMBL317372 0.76 KDM4E (0.49) PTGDR2ARLRRK2KDM4ELMNA
SCHEMBL4012181 0.75 PTGDR2 (0.45) PTGDR2PDE4DPIK3CDKDM4ELMNA
SCHEMBL4015117 0.73 NR1H2 (0.62)
SCHEMBL4012471 0.73 KDM4E (0.42) PTGDR2ARLRRK2KDM4ELMNA
SCHEMBL27786981 0.72 CCNT1 (0.43) PTGDR2AR

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