SCHEMBL2331129

SCHEMBL2331129

CC(=O)c1ccc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4cccc(C)c4)o3)n2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
ADORA2A P29274 1/20 0.34
NR4A2 P43354 1/20 0.34
SLC9A1 P19634 1/20 0.34
IKBKB O14920 4/20 0.33
PIN1 Q13526 1/20 0.33
FPR2 P25090 3/20 0.33
RIPK2 O43353 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
DHODH Q02127 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MDM2 Q00987 1/20 0.32
HSD17B1 P14061 1/20 0.32

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
SCHEMBL2324582 0.91 IKBKB (0.39) ADORA2ANR4A2IKBKBMEN1KMT2A
SCHEMBL2327822 0.91 TRPM8 (0.36) ADORA2ASLC9A1IKBKBPIN1FPR2
SCHEMBL2330747 0.91 IKBKB (0.44) RXRARXRBRXRGADORA2ANR4A2
SCHEMBL2324316 0.89 IKBKB (0.47) RXRARXRBHDAC6ADORA2AIKBKB
SCHEMBL2332003 0.89 FYN (0.39) ADORA2AIKBKBHSD17B1HSD17B2KDM4E
SCHEMBL2330683 0.87 ADORA2A (0.38) ADORA2AIKBKBFPR2DHODHPPARG
SCHEMBL2331664 0.85 MAPK14 (0.34) HDAC4HDAC1HDAC6IKBKB
SCHEMBL2328930 0.84 HCRTR1 (0.44) RXRARXRBRXRGADORA2ANR4A2
SCHEMBL2328143 0.82 RXRA (0.37) RXRARXRBRXRGADORA2ANR4A2
SCHEMBL2131687 0.81 FPR2 (0.39) RXRARXRBRXRGHDAC4HDAC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP claimed
EP-2225231-B1 AMINOTRIAZOLE DERIVATIVES AS ALX AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-08-17 EP disclosed