SCHEMBL2186765

SCHEMBL2186765

CN(C(=O)c1sccc1OC(=O)O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.42
EDNRA P25101 1/20 0.41
HTT P42858 1/20 0.40
RAB9A P51151 2/20 0.39
NPC1 O15118 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ATM Q13315 1/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
NR1H3 Q13133 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL2186248 0.87 KDM4E (0.44) KMT2APOLBKDM4ETSHREDNRA
SCHEMBL2188985 0.82 KMT2A (0.39) KMT2APOLBHTTRAB9ASMN1; SMN2
SCHEMBL2185780 0.79 POLB (0.50) KMT2APOLBKDM4ETSHRHTT
SCHEMBL2186762 0.76 POLB (0.50) KMT2APOLBKDM4EEDNRAHTT
SCHEMBL2189405 0.75 KDM4E (0.49) KMT2APOLBKDM4ETSHREDNRA
SCHEMBL2185778 0.73 POLB (0.54) KMT2APOLBKDM4EEDNRAHTT
SCHEMBL7613287 0.72 EDNRA (0.53) KMT2APOLBKDM4EEDNRAHTT
SCHEMBL2187905 0.72 L3MBTL1 (0.49) KMT2APOLBKDM4ETSHRMEN1
SCHEMBL2186717 0.71 MAPT (0.52) KMT2APOLBKDM4EHTTRAB9A
SCHEMBL31261611 0.70 GAA (0.48) KMT2AKDM4ETSHRHTTRAB9A

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
EP-1578741-B1 AROMATIC COMPOUNDS AS ANTI-INFLAMMATORY, IMMUNOMODULATORY AND ANTI-PROLIFERATORY AGENTS 4SC AG (DE) 2011-07-13 EP claimed