SCHEMBL11049832

SCHEMBL11049832

COC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)cn1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.59
MAPK1 P28482 1/20 0.53
SLC6A3 Q01959 6/20 0.49
SLC6A2 P23975 3/20 0.49
KMO O15229 1/20 0.49
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.48
RCE1 Q9Y256 1/20 0.48
DYRK1A Q13627 1/20 0.46
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
F9 P00740 1/20 0.43
SLC6A4 P31645 1/20 0.43

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
SCHEMBL4425566 0.83 KMO (0.67) NOTUMSLC6A3SLC6A2KMOKDM4E
SCHEMBL5937430 0.83 EGLN1 (0.57) MAPK1SLC6A3SLC6A2KDM4EPKM
SCHEMBL4780370 0.81 KMO (0.68) KMOKDM4E
SCHEMBL27772735 0.79 MAPK1 (0.53) NOTUMMAPK1SLC6A3KDM4EDYRK1A
SCHEMBL11047919 0.79 MAPK1 (0.59) MAPK1DYRK1APDGFRBPDGFRA
SCHEMBL13680499 0.78 MAPK1 (0.51) MAPK1KMOKDM4EDYRK1A
SCHEMBL2037294 0.78 MAPK1 (0.59) MAPK1KDM4EDYRK1APDGFRBPDGFRA
SCHEMBL11041168 0.78 MAPK1 (0.59) MAPK1KDM4EDYRK1A
SCHEMBL8258906 0.77 MAPK1 (0.54) MAPK1KDM4EPKMDYRK1A
SCHEMBL23380565 0.77 MAPT (0.51) MAPK1KDM4EDYRK1A

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-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 WO disclosed