SCHEMBL6917819

SCHEMBL6917819

N=C1C(=O)Nc2cccc(O)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.49
CES1 P23141 1/20 0.43
MAOA P21397 3/20 0.41
MAPT P10636 5/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 3/20 0.39
HSD17B10 Q99714 3/20 0.39
TDP1 Q9NUW8 3/20 0.39
HPGD P15428 2/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 2/20 0.39
MAOB P27338 2/20 0.39
LMNA P02545 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLK4 O00444 1/20 0.39
PLK1 P53350 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 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
SCHEMBL2331366 0.84 PDPK1 (0.54) PDPK1CES1MAOAMAPTALDH1A1
SCHEMBL9926495 0.72 PDPK1 (0.58) PDPK1CES1MAPTALDH1A1MAPK1
SCHEMBL31119388 0.67 LRRK2 (0.61) MAOAMAPTALDH1A1MAPK1MAOB
SCHEMBL130358 0.67 LRRK2 (0.61) MAOAMAPTALDH1A1MAPK1MAOB
SCHEMBL24317500 0.67 CDK2 (0.44) PDPK1CES1MAPTALDH1A1ALOX15
SCHEMBL5728638 0.66 PDPK1 (1.00) PDPK1KDRAURKAAURKBPDGFRA
SCHEMBL5728634 0.66 PDPK1 (1.00) PDPK1KDRAURKAAURKBPDGFRA
SCHEMBL29779636 0.65 MAOA (0.56) MAOAMAPTALDH1A1ALOX15HSD17B10
SCHEMBL51539 0.65 MAOA (0.56) MAOAMAPTALDH1A1ALOX15HSD17B10
SCHEMBL9462895 0.64 MAOA (0.54) MAOAMAPTALDH1A1ALOX15HSD17B10

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
WO-2004014854-A1 3-IMINO-2-INDOLONES FOR THE TREATMENT OF DEPRESSION AND/OR ANXIETY SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2004-02-19 WO disclosed