SCHEMBL2328930

SCHEMBL2328930

CC(=O)c1ccc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4cccc(C)c4)o3)n2)o1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
RXRA P19793 2/20 0.38
RXRB P28702 2/20 0.38
RXRG P48443 2/20 0.38
NR4A2 P43354 1/20 0.36
HTT P42858 1/20 0.35
SLC9A1 P19634 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ADORA2A P29274 1/20 0.34
TSHR P16473 1/20 0.34
IKBKB O14920 3/20 0.34
PIN1 Q13526 1/20 0.34
KMT2A Q03164 1/20 0.34
FPR2 P25090 2/20 0.33
RIPK2 O43353 1/20 0.33

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
SCHEMBL2323238 0.91 IKBKB (0.40) HCRTR1HCRTR2NR4A2HTTALDH1A1
SCHEMBL2331266 0.91 IKBKB (0.45) HCRTR1HCRTR2RXRARXRBRXRG
SCHEMBL2332690 0.91 NR4A1 (0.37) HCRTR1HCRTR2NR4A2SLC9A1ALDH1A1
SCHEMBL2327049 0.89 IKBKB (0.48) RXRARXRBSLC9A1ALDH1A1ADORA2A
SCHEMBL2327570 0.89 LRRK2 (0.36) HCRTR1HCRTR2HTTALDH1A1ADORA2A
SCHEMBL2327731 0.89 RXRA (0.41) RXRARXRBRXRGHTTSLC9A1
SCHEMBL2328920 0.88 IKBKB (0.35) HCRTR1HCRTR2HTTALDH1A1ADORA2A
SCHEMBL2328104 0.87 HCRTR1 (0.36) HCRTR1HCRTR2RXRARXRBHTT
SCHEMBL2327644 0.87 ADORA2A (0.39) HCRTR1HCRTR2ADORA2AIKBKBFPR2
SCHEMBL2131687 0.86 FPR2 (0.39) HCRTR1HCRTR2RXRARXRBRXRG

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