SCHEMBL7992228

SCHEMBL7992228

COc1cccc(-c2nc(C(=O)O)c(-c3ccncc3)[nH]2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 2/20 0.68
MAPK14 Q16539 4/20 0.65
RAF1 P04049 3/20 0.65
MAPK13 O15264 2/20 0.65
MAPK12 P53778 2/20 0.65
MAPK11 Q15759 2/20 0.65
ALOX5 P09917 1/20 0.56
CDC7 O00311 1/20 0.56
PARP1 P09874 1/20 0.51
AURKA O14965 1/20 0.50
HCRTR1 O43613 1/20 0.50
SLC9A1 P19634 1/20 0.48
CSNK1D P48730 1/20 0.48
CSNK1E P49674 1/20 0.48
GCGR P47871 1/20 0.47
MAPT P10636 2/20 0.47
CYP1A2 P05177 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL7989739 0.85 MAPK14 (0.56) PIN1MAPK14RAF1MAPK13MAPK12
SCHEMBL15075613 0.85 MAPK13 (0.63) PIN1MAPK14RAF1MAPK13MAPK12
SCHEMBL7995495 0.85 MAPK13 (0.63) PIN1MAPK14RAF1MAPK13MAPK12
SCHEMBL7992089 0.82 MAPK14 (0.62) PIN1MAPK14RAF1MAPK13MAPK12
SCHEMBL6469927 0.81 MAPK14 (0.90) MAPK14RAF1MAPK13MAPK12MAPK11
SCHEMBL7989208 0.81 PIN1 (0.61) PIN1PARP1HCRTR1MAPTCYP1A2
Hydrochloric Acid SCHEMBL7988593 0.79 MAPK1 (0.50) PIN1MAPK14RAF1MAPK13MAPK12
SCHEMBL7988557 0.79 PIN1 (0.58) PIN1MAPK14RAF1MAPK13MAPK12
SCHEMBL28580042 0.78 PIN1 (0.60) PIN1MAPK14RAF1MAPK13MAPK12
SCHEMBL7989904 0.77 MEN1 (0.54) PIN1ALOX5HCRTR1MAPTCYP1A2

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