SCHEMBL7989686

SCHEMBL7989686

CN(C)Cc1ccc(-c2nc(C(=O)O)c(-c3ccc(Cl)cc3)[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.48
ALOX5 P09917 1/20 0.46
PIN1 Q13526 6/20 0.46
ERCC1 P07992 1/20 0.45
FEN1 P39748 1/20 0.45
ERCC4 Q92889 1/20 0.45
MAP2 P11137 1/20 0.45
GRK6 P43250 1/20 0.45
CHEK2 O96017 2/20 0.43
GCGR P47871 2/20 0.41
LSS P48449 1/20 0.41
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MAPK14 Q16539 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
SCHEMBL7990026 0.88 GCGR (0.44) PIN1CHEK2GCGRMAPK13MAPK12
SCHEMBL7989599 0.85 SIRT2 (0.52) PARP1ALOX5ERCC1FEN1ERCC4
SCHEMBL7991890 0.85 BRAF (0.48) PARP1PIN1CHEK2GCGRMAPK13
SCHEMBL7989973 0.81 GCGR (0.43) ALOX5PIN1CHEK2GCGR
SCHEMBL7989925 0.79 MAPK14 (0.62) ALOX5CHEK2GCGRMAPK13MAPK12
SCHEMBL7988519 0.79 GCGR (0.43) PIN1CHEK2GCGRMAPK13MAPK12
SCHEMBL7995605 0.79 MEN1 (0.52) PARP1ERCC1FEN1ERCC4
SCHEMBL7995390 0.76 MAPK14 (0.48) PARP1PIN1CHEK2GCGRMAPK13
SCHEMBL7995219 0.76 RHEB (0.48) PARP1ALOX5PIN1MAP2CHEK2
SCHEMBL7988555 0.76 PARP1 (0.54) PARP1ALOX5PIN1ERCC1FEN1

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
US-6288061-B1 INTERLEUKIN INHIBITORS; ASTHMA, BRONCHODILATOR AGENTS, ANTIALLERGENS WELFIDE CORPORATION (JP) 2001-09-11 US disclosed