SCHEMBL17320889

SCHEMBL17320889

C=C(C)c1ccc(/N=N/c2cc(CCNC)ccc2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.49
MAPK1 P28482 4/20 0.49
HIF1A Q16665 2/20 0.49
HSD17B10 Q99714 2/20 0.49
TP53 P04637 1/20 0.49
CYP1A2 P05177 1/20 0.49
ALOX15 P16050 1/20 0.49
TSHR P16473 1/20 0.49
NFKB1 P19838 1/20 0.49
THPO P40225 1/20 0.49
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
BLM P54132 2/20 0.48
GMNN O75496 1/20 0.48
GFER P55789 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL17320175 0.88 CA1 (0.52) MAPTMAPK1HIF1AHSD17B10TP53
SCHEMBL24346426 0.80 HTT (0.46) MAPTMAPK1HIF1AHSD17B10TP53
SCHEMBL24202036 0.76 TMEM97 (0.59) MAPTMAPK1HIF1AHSD17B10TP53
SCHEMBL26324657 0.74 HPGD (0.49) MAPTTP53ALDH1A1HPGDSMN1; SMN2
SCHEMBL2220683 0.70 MAPT (0.53) MAPTMAPK1ALOX15KDM4EALDH1A1
SCHEMBL2220680 0.70 MAPT (0.53) MAPTMAPK1ALOX15KDM4EALDH1A1
SCHEMBL13523477 0.70 CA1 (0.46) TP53ALDH1A1SMN1; SMN2THRBCA1
SCHEMBL13820249 0.69 CA1 (0.58) MAPTMAPK1HSD17B10ALOX15KDM4E
SCHEMBL1298805 0.69 THRB (0.41) MAPTMAPK1THRBCA1CA2
SCHEMBL1298802 0.69 THRB (0.41) MAPTMAPK1THRBCA1CA2

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-2015187019-A1 CLEAVAGE AND EXCHANGE OF MAJOR HISTOCOMPATIBILITY COMPLEX LIGANDS EMPLOYING AZOBENZENE-CONTAINING PEPTIDES STICHTING SANQUIN BLOEDVOORZIENING (NL) 2015-12-10 WO disclosed