SCHEMBL7991880

SCHEMBL7991880

O=C(O)c1nc(-c2cccc3ccccc23)[nH]c1-c1ccc(F)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.60
MAPK13 O15264 4/20 0.60
MAPK12 P53778 4/20 0.60
MAPK11 Q15759 4/20 0.60
GCGR P47871 3/20 0.60
CSNK1D P48730 2/20 0.46
CSNK1E P49674 2/20 0.46
ALOX5 P09917 5/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.43
PIN1 Q13526 2/20 0.42
TNKS O95271 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
PARP2 Q9UGN5 1/20 0.42
MCL1 Q07820 1/20 0.41
ACMSD Q8TDX5 1/20 0.41
TGFBR1 P36897 2/20 0.41
SERPINE1 P05121 1/20 0.41
DHODH Q02127 3/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL7991800 0.91 KDM4E (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7989339 0.88 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7991805 0.88 KDM4E (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7977712 0.87 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7995032 0.86 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7989059 0.84 MAPT (0.51) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7989916 0.83 IDO1 (0.50) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7988490 0.83 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7989665 0.80 GPR84 (0.43) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7991983 0.78 MAPK13 (0.50) MAPK14MAPK13MAPK12MAPK11GCGR

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