SCHEMBL4013124

SCHEMBL4013124

COc1ccc(Cl)c(-c2cc(C)nc3c(Cl)cccc23)c1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 4/20 0.51
CRHR1 P34998 5/20 0.44
HSP90AA1 P07900 1/20 0.43
HSP90AB1 P08238 1/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE2A O00408 1/20 0.40
PDE10A Q9Y233 1/20 0.40
MEN1 O00255 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
PIK3CD O00329 2/20 0.39
SLC2A1 P11166 1/20 0.39
LMNA P02545 1/20 0.39
GAA P10253 1/20 0.39
BDKRB2 P30411 1/20 0.39
MAPT P10636 1/20 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
SCHEMBL4015330 0.88 NR4A2 (0.48) NR4A2CRHR1TP53SMN1; SMN2PDE2A
SCHEMBL4012142 0.86 ENPP1 (0.44) NR4A2CRHR1HSP90AA1HSP90AB1TP53
SCHEMBL4017818 0.81 NR4A2 (0.54) NR4A2CRHR1PDE2APDE10AGAA
SCHEMBL4017565 0.80 NR1H2 (0.47) NR4A2HSP90AA1HSP90AB1SMN1; SMN2MEN1
SCHEMBL4017788 0.79 NR1H2 (0.59) NR4A2
SCHEMBL4012832 0.78 NR1H2 (0.57) NR4A2
SCHEMBL4012480 0.77 NR1H2 (0.58) NR4A2
SCHEMBL4011445 0.75 NR1H2 (0.59) NR4A2
SCHEMBL4012195 0.75 NR1H2 (0.45) NR4A2MEN1KMT2ABDKRB2
SCHEMBL4016587 0.74 NR1H2 (0.49) NR4A2

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-2074098-A2 QUINOLINE COMPOUNDS Wyeth (US) 2009-07-01 EP disclosed
WO-2008049047-A2 QUINOLINE COMPOUNDS WYETH (US) 2008-04-24 WO disclosed