SCHEMBL8328481

SCHEMBL8328481

CC1=C(C(=O)O)C(c2cccc(N)c2)NC(=O)N1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.58
HTT P42858 1/20 0.54
KIF11 P52732 1/20 0.53
GUSB P08236 1/20 0.51
PKM P14618 1/20 0.50
HSD17B10 Q99714 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47
PDE1C Q14123 1/20 0.47

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
SCHEMBL3398149 0.85 KIF11 (0.71) USP2HTTKIF11GUSBPKM
SCHEMBL13789190 0.84 USP2 (0.79) USP2HSD17B10ALDH1A1TDP1
SCHEMBL19732923 0.84 USP2 (0.79) USP2HSD17B10ALDH1A1TDP1
SCHEMBL19732955 0.84 USP2 (0.79) USP2HSD17B10ALDH1A1TDP1
SCHEMBL6348122 0.84 HTT (0.75) USP2HTTKIF11GUSBPKM
SCHEMBL14413255 0.84 PKM (0.68) USP2HTTKIF11GUSBPKM
SCHEMBL19732936 0.84 PKM (0.68) USP2HTTKIF11GUSBPKM
SCHEMBL14413847 0.84 KIF11 (0.77) KIF11PKMHSD17B10ALDH1A1MAPK1
SCHEMBL14413854 0.82 NPSR1 (0.69) USP2HTTKIF11GUSBALDH1A1
SCHEMBL19732952 0.82 NPSR1 (0.69) USP2HTTKIF11GUSBALDH1A1

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
US-5889016-A Dihydropyrimidone derivatives as NPY antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1999-03-30 US disclosed