SCHEMBL29883306

SCHEMBL29883306

Nc1nc(C(=O)O)cc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GLA P06280 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
KMT2A Q03164 1/20 0.50
ALOX15 P16050 3/20 0.46
IGFBP3 P17936 3/20 0.44
MGAM O43451 1/20 0.43
IDO1 P14902 1/20 0.43
TSHR P16473 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
ACMSD Q8TDX5 1/20 0.42
HTR3A P46098 1/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41

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
SCHEMBL6981683 1.00 KDM4E (0.50) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL9327979 0.79 IGFBP3 (0.52) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL4768998 0.79 KDM4E (0.52) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL3205661 0.79 IGFBP3 (0.49) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL1990776 0.78 KDM4E (0.50) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL31165745 0.78 MEN1 (0.55) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL30420994 0.78 ALDH1A1 (0.50) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL30023908 0.78 KDM4E (0.50) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL1202533 0.78 ALDH1A1 (0.50) KDM4EGLAHPGDHSD17B10MEN1
SCHEMBL12146113 0.76 HTR3A (0.44) KDM4EHPGDHSD17B10ALDH1A1CYP1A2

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
CN-114929264-A Multi-domain protein vaccines E·弗里奇 2022-08-19 CN disclosed