SCHEMBL1656503

SCHEMBL1656503

Nc1ccc(C(N)(CO)CO)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KIF11 P52732 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 3/20 0.38
CA3 P07451 1/20 0.38
THRB P10828 1/20 0.38
ALOX15 P16050 1/20 0.38
CA6 P23280 1/20 0.38
CASP1 P29466 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CA14 Q9ULX7 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
GFER P55789 1/20 0.36
TSHR P16473 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL13084370 0.89 MEN1 (0.37) MEN1KMT2A
SCHEMBL10171070 0.78 KIF11 (0.34) KIF11CYP3A4
SCHEMBL2568927 0.78 KCNN4 (0.45) KIF11CYP3A4RAB9ALOXL2
SCHEMBL6047551 0.77 KCNN4 (0.50) MAPTKMT2AKIF11ALDH1A1HIF1A
SCHEMBL12982881 0.75 MAPT (0.40) MAPTMEN1KMT2AKIF11ALDH1A1
SCHEMBL3161216 0.75 MAPT (0.48) MAPTMEN1KMT2AKIF11ALDH1A1
SCHEMBL2968589 0.73 MAPT (0.43) MAPTMEN1KMT2AKIF11ALDH1A1
SCHEMBL394785 0.73 MAPT (0.52) MAPTMEN1KMT2AKIF11ALDH1A1
SCHEMBL9456971 0.72 MAPT (0.57) MAPTMEN1KMT2AKIF11ALDH1A1
SCHEMBL10400441 0.71 MAPT (0.42) MAPTMEN1KMT2AKIF11ALDH1A1

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-2308827-A1 Photocrosslinkable materials Rolic AG (CH) 2011-04-13 EP disclosed