SCHEMBL4464540

SCHEMBL4464540

CC(NC(N)=CC(=O)O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 3/20 0.51
KDM4E B2RXH2 2/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC6 Q9UBN7 1/20 0.49
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.49
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
CTDSP1 Q9GZU7 1/20 0.47
RECQL P46063 1/20 0.47
NPC1 O15118 1/20 0.47
MMP9 P14780 1/20 0.46
MMP8 P22894 1/20 0.46
CASR P41180 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
SCHEMBL16356135 0.81 MAPT (0.50) HSD17B10ALDH1A1KDM4ETDP1MEN1
SCHEMBL1186297 0.80 HSD17B10 (0.59) HSD17B10ALDH1A1KDM4ETDP1MEN1
SCHEMBL1244430 0.80 HSD17B10 (0.59) HSD17B10ALDH1A1KDM4ETDP1MEN1
SCHEMBL1186568 0.80 HSD17B10 (0.59) HSD17B10ALDH1A1KDM4ETDP1MEN1
SCHEMBL9727031 0.78 TDP1 (0.58) HSD17B10ALDH1A1KDM4ETDP1MEN1
SCHEMBL9727033 0.78 TDP1 (0.58) HSD17B10ALDH1A1KDM4ETDP1MEN1
SCHEMBL28428178 0.76 MEN1 (0.46) HSD17B10ALDH1A1KDM4ETDP1MEN1
SCHEMBL25336459 0.75 MMP9 (0.66) HSD17B10ALDH1A1KDM4ETDP1MEN1
SCHEMBL249524 0.75 HSD17B10 (0.63) HSD17B10ALDH1A1KDM4ETDP1MEN1
SCHEMBL8715641 0.75 HSD17B10 (0.75) HSD17B10ALDH1A1KDM4ETDP1MEN1

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-2009146696-A1 USE OF INDOLE-3-CARBOXYLIC ESTERS FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE Universität Tübingen (DE) 2009-12-10 WO disclosed