SCHEMBL19201818

SCHEMBL19201818

O=C(O)c1c(O)c(O)cc2cccc(I)c12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.45
KMT2A Q03164 5/20 0.45
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 4/20 0.45
HSD17B10 Q99714 4/20 0.45
HPGD P15428 3/20 0.45
TP53 P04637 2/20 0.45
MAPT P10636 2/20 0.45
MAPK1 P28482 2/20 0.45
SNCA P37840 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
INPPL1 O15357 1/20 0.45
NSD2 O96028 1/20 0.45
POLB P06746 1/20 0.45
CYP3A4 P08684 1/20 0.45
GAA P10253 1/20 0.45
THRB P10828 1/20 0.45
PABPC1 P11940 1/20 0.45
PKM P14618 1/20 0.45
IDO1 P14902 1/20 0.45

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
SCHEMBL19202321 0.87 CA12 (0.42) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL24116337 0.84 KMT2A (0.53) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL17961533 0.81 HSD17B10 (0.50) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL19203139 0.80 DHODH (0.47) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL29182055 0.79 CA12 (0.50) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL19202240 0.78 ALDH1A1 (0.58) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL19196119 0.76 GLRA3 (0.49) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL19202322 0.75 POLB (0.45) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL24116593 0.74 KMT2A (0.59) MEN1KMT2AALDH1A1KDM4EHSD17B10
SCHEMBL25178979 0.73 HSD17B10 (0.41) MEN1KMT2AALDH1A1KDM4EHSD17B10

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-2017132463-A1 SURFACE PRIMER COMPOSITIONS AND METHODS OF USE ACatechol, Inc. (US) 2017-08-03 WO disclosed