SCHEMBL2319472

SCHEMBL2319472

Cc1cccc(-c2csc([C]=O)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.39
ATP4B P51164 2/20 0.39
HSD17B10 Q99714 1/20 0.38
NOTUM Q6P988 1/20 0.37
ACHE P22303 1/20 0.37
PTPN5 P54829 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
DHODH Q02127 1/20 0.36
AR P10275 1/20 0.36
FYN P06241 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
DYRK1B Q9Y463 1/20 0.36
MAPT P10636 1/20 0.35
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
RAB9A P51151 1/20 0.35
PGR P06401 1/20 0.35
AKR1C2 P52895 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
SCHEMBL2321222 0.80 MMP12 (0.35) HSD17B10NOTUMALDH1A1KMT2AAR
SCHEMBL2325532 0.80 HDAC6 (0.43) NOTUMALDH1A1MEN1KMT2ADYRK1B
SCHEMBL20288135 0.76 HPGD (0.48) ATP4AATP4BHSD17B10NOTUMACHE
SCHEMBL2319480 0.74 PGR (0.46) ATP4AATP4BHSD17B10NOTUMACHE
SCHEMBL28745195 0.73 ACHE (0.50) NOTUMACHEPTPN5ALDH1A1DHODH
SCHEMBL29401977 0.73 ACHE (0.50) NOTUMACHEPTPN5ALDH1A1DHODH
SCHEMBL8062082 0.73 ACHE (0.50) NOTUMACHEPTPN5ALDH1A1DHODH
SCHEMBL160150 0.73 ACHE (0.50) NOTUMACHEPTPN5ALDH1A1DHODH
SCHEMBL23773782 0.73 ALDH1A1 (0.43) ATP4AATP4BHSD17B10NOTUMACHE
SCHEMBL12960188 0.73 HSD17B10 (0.47) ATP4AATP4BHSD17B10ACHEALDH1A1

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