SCHEMBL14775719

SCHEMBL14775719

Nc1sccc1-c1ccc(NC(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 3/20 0.45
ALDH1A1 P00352 3/20 0.42
MAPT P10636 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPK1 P28482 2/20 0.42
RXFP1 Q9HBX9 2/20 0.41
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
BCAT2 O15382 1/20 0.40
DHODH Q02127 1/20 0.40
KDR P35968 7/20 0.39
PLK4 O00444 2/20 0.39
AURKA O14965 2/20 0.39
ROCK2 O75116 2/20 0.39
NTRK1 P04629 2/20 0.39
LCK P06239 2/20 0.39
CSF1R P07333 2/20 0.39
LYN P07948 2/20 0.39
MET P08581 2/20 0.39

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
SCHEMBL28386018 0.73 SMN1; SMN2 (0.61) ALDH1A1MAPTTSHRCLK4KIF11
SCHEMBL16897359 0.72 HDAC3 (0.58) ALDH1A1MAPTHSD17B10KDRPLK4
SCHEMBL2231313 0.72 ALDH1A1 (0.47) PRKCZALDH1A1MAPTMEN1KMT2A
SCHEMBL11415508 0.72 MAPT (0.61) ALDH1A1MAPTMEN1KMT2AHSD17B10
SCHEMBL544047 0.72 BCAT2 (0.52) PRKCZALDH1A1MEN1KMT2AHSD17B10
SCHEMBL2948840 0.71 MEN1 (0.50) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL10778839 0.71 SMN1; SMN2 (0.52) MAPTKMT2ATSHRHSD17B10CLK4
SCHEMBL3038302 0.69 MAPT (0.70) ALDH1A1MAPTMEN1KMT2ALMNA
SCHEMBL7459057 0.69 RAB9A (0.46) PRKCZALDH1A1MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL11405284 0.69 SMN1; SMN2 (0.50) MAPTKMT2ATSHRHSD17B10CLK4

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-1991226-B1 INHIBITORS OF HISTONE DEACETYLASE MERCK SHARP & DOHME (US) 2013-03-20 EP disclosed