SCHEMBL2331276

SCHEMBL2331276

CC(=O)c1cc(Cn2nc(C(N)=O)c(-c3nc(C(=O)O)c(-c4ccccc4)o3)n2)cs1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
HPGD P15428 1/20 0.41
IKBKB O14920 7/20 0.38
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 2/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
PPARG P37231 1/20 0.35
NCOA2 Q15596 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
ADORA2A P29274 2/20 0.34
DAO P14920 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
SCHEMBL2330919 0.85 IKBKB (0.38) HPGDIKBKBALDH1A1MAPK1KDM4E
SCHEMBL2324582 0.85 IKBKB (0.39) POLBIKBKBALDH1A1KDM4EMEN1
SCHEMBL2327778 0.84 SMN1; SMN2 (0.39) IKBKBALDH1A1KDM4EPPARGNCOA2
SCHEMBL2330217 0.84 IKBKB (0.38) POLBIKBKBALDH1A1KDM4EMEN1
SCHEMBL2324724 0.83 IKBKB (0.37) HPGDIKBKBALDH1A1KDM4EPPARG
SCHEMBL2332736 0.83 IKBKB (0.38) POLBIKBKBALDH1A1KDM4EMEN1
SCHEMBL2334798 0.83 PTGER1 (0.39) IKBKBKDM4EPPARGNCOA2HSD17B10
SCHEMBL2323238 0.82 IKBKB (0.40) POLBIKBKBALDH1A1KDM4EPPARG
SCHEMBL2331384 0.81 IKBKB (0.38) IKBKBALDH1A1MAPK1KDM4EPPARG
SCHEMBL2331737 0.81 IKBKB (0.38) HPGDIKBKBALDH1A1KDM4EPPARG

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