SCHEMBL2321380

SCHEMBL2321380

CC(C)c1ccc(-c2ccc(N[C]=O)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.44
EGLN1 Q9GZT9 2/20 0.41
VEGFA P15692 1/20 0.41
FLT1 P17948 1/20 0.41
KDR P35968 1/20 0.39
EPHB4 P54760 1/20 0.39
TEK Q02763 1/20 0.39
KIF11 P52732 1/20 0.38
GPR55 Q9Y2T6 6/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL2320050 0.81 DEGS1 (0.49) DEGS1EGLN1NPC1ALDH1A1RAB9A
SCHEMBL2360450 0.81 EGLN1 (0.44) EGLN1VEGFAFLT1MEN1ALDH1A1
SCHEMBL2317975 0.80 DEGS1 (0.46) DEGS1NPC1RAB9ASMN1; SMN2DGAT1
SCHEMBL2360145 0.78 KDR (0.46) EGLN1KDRTEKGPR55DGAT1
SCHEMBL2321384 0.77 DEGS1 (0.41) DEGS1EGLN1VEGFAFLT1KDR
SCHEMBL2325022 0.77 DEGS1 (0.51) DEGS1EGLN1NPC1ALDH1A1RAB9A
SCHEMBL2324956 0.77 EPHB4 (0.46) KDREPHB4TEKMEN1NPC1
SCHEMBL2359964 0.74 DEGS1 (0.46) DEGS1KDRTEKKIF11NPC1
SCHEMBL2320830 0.72 CNR2 (0.44) EGLN1VEGFAFLT1KDREPHB4
SCHEMBL2321676 0.71 KIF11 (0.41) KIF11HDAC6HDAC1

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-2011094890-A1 PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS ARGUSINA INC. (US) 2011-08-11 WO disclosed