SCHEMBL8901135

SCHEMBL8901135

CC(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1-n1ccnc1N

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
ALDH1A1 P00352 2/20 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
GABRA1 P14867 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
KMT2A Q03164 2/20 0.35
SRD5A1 P18405 1/20 0.35
HDAC1 Q13547 1/20 0.34
SLC7A5 Q01650 1/20 0.34
MAPK14 Q16539 1/20 0.34
STAT3 P40763 2/20 0.34
CYP17A1 P05093 1/20 0.34

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
SCHEMBL8900368 0.85 ALOX15 (0.39) ALOX15ALDH1A1TET2OGFOD1TET1
SCHEMBL8901564 0.84 ALDH1A1 (0.34) ALDH1A1KMT2AHDAC1MAPK14BRD4
SCHEMBL8900474 0.83 NEU3 (0.47) ALDH1A1GABRA1GABRG2GABRB3GABRA3
Trifluoroacetic Acid SCHEMBL8901557 0.80 NEU3 (0.42) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL8900955 0.77 SCN3A (0.41) ALOX15ALDH1A1KMT2AHDAC1NPC1
SCHEMBL8900647 0.74 MAPT (0.35) ALOX15ALDH1A1MAPK14NPC1POLB
SCHEMBL8902702 0.71 ALDH1A1 (0.42) ALDH1A1GABRA1GABRG2GABRB3GABRA3
SCHEMBL8902205 0.71 ALPG (0.35) ALDH1A1KMT2ACA12CA1CA2
SCHEMBL17965580 0.70 NPC1 (0.58) ALOX15ALDH1A1KMT2AHDAC1NPC1
SCHEMBL2422083 0.70 KDM4E (0.48) ALOX15ALDH1A1KMT2AHDAC1SLC7A5

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