SCHEMBL2327152

SCHEMBL2327152

CC(=O)c1ccnc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4ccccc4)o3)n2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 4/20 0.37
KDM4E B2RXH2 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
HSD17B10 Q99714 1/20 0.35
ATR Q13535 2/20 0.35
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ADORA2A P29274 2/20 0.33
SYK P43405 1/20 0.33
AURKB Q96GD4 1/20 0.33
INCENP Q9NQS7 1/20 0.33
CDC7 O00311 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM5C P41229 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
POLB P06746 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL2327778 0.85 SMN1; SMN2 (0.39) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2330919 0.85 IKBKB (0.38) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2330217 0.84 IKBKB (0.38) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2327745 0.83 IKBKB (0.39) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2332736 0.82 IKBKB (0.38) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2333861 0.82 IKBKB (0.38) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2331384 0.80 IKBKB (0.38) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2331737 0.80 IKBKB (0.38) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2323238 0.80 IKBKB (0.40) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2331276 0.79 POLB (0.41) IKBKBKDM4EPPARGNCOA2HSD17B10

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