SCHEMBL8900368

SCHEMBL8900368

CC(C)(C)OC(=O)c1ccc(N)c(-n2ccnc2N)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
SRD5A1 P18405 1/20 0.38
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TET2 Q6N021 1/20 0.36
OGFOD1 Q8N543 1/20 0.36
TET1 Q8NFU7 1/20 0.36
EGLN2 Q96KS0 1/20 0.36
EGLN1 Q9GZT9 1/20 0.36
HIF1AN Q9NWT6 1/20 0.36
SLC7A5 Q01650 1/20 0.35
MAPK14 Q16539 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
SCHEMBL8901135 0.85 ALOX15 (0.40) ALOX15GABRA1GABRG2GABRB3GABRA3
SCHEMBL31634629 0.80 GABRP (0.44) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL30755109 0.74 KDM4E (0.46) ALOX15CA12CA1CA2CA9
SCHEMBL11090176 0.73 ALOX15 (0.53) ALOX15GABRA1GABRG2GABRB3GABRA3
SCHEMBL17287387 0.73 KDM4E (0.53) ALOX15SRD5A1NPC1KDM4ERAB9A
SCHEMBL8901913 0.71 MET (0.45) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL9470701 0.70 CA12 (0.50) ALOX15GABRA1GABRG2GABRB3GABRA3
SCHEMBL1028144 0.70 ALOX15 (0.48) ALOX15GABRA1GABRG2GABRB3GABRA3
SCHEMBL7472823 0.70 ALOX15 (0.48) ALOX15GABRA1GABRG2GABRB3GABRA3
SCHEMBL38654909 0.69 ALOX15 (0.47) ALOX15GABRA1GABRG2GABRB3GABRA3

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-1997033872-A1 ANTI-VIRAL 4-ACYLAMINO-3-[IMIDAZOL-I-YL]-BENZOIC ACID DERIVATIVES BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 1997-09-18 WO disclosed