SCHEMBL8892835

SCHEMBL8892835

CC(=O)Nc1ccc(C(=O)O)cc1-n1ccnc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADH5 P11766 9/20 0.48
CYP3A4 P08684 3/20 0.47
BAZ2B Q9UIF8 1/20 0.47
NEU3 Q9UQ49 1/20 0.45
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
NPC1 O15118 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
ABL1 P00519 1/20 0.43
MEN1 O00255 1/20 0.42

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
SCHEMBL11555544 0.79 KMT2A (0.58) CYP3A4BAZ2BHTTKMT2AALDH1A1
SCHEMBL28267134 0.77 ADH5 (0.55) ADH5CYP3A4BAZ2BHTTCYP4Z1
SCHEMBL8900474 0.75 NEU3 (0.47) NEU3HTTKMT2AALDH1A1NPC1
SCHEMBL3312814 0.73 CYP19A1 (0.55) ADH5CYP3A4BAZ2BHTT
SCHEMBL8900520 0.73 ALDH1A1 (0.43) NEU3HTTKMT2AALDH1A1GAA
SCHEMBL3891611 0.71 NPC1 (0.64) NEU3HTTKMT2AALDH1A1NPC1
SCHEMBL2344997 0.70 GAA (0.63) NEU3HTTKMT2AALDH1A1NPC1
SCHEMBL3531980 0.70 ADH5 (0.66) ADH5CYP3A4BAZ2BKMT2AALDH1A1
Trifluoroacetic Acid SCHEMBL8901557 0.70 NEU3 (0.42) NEU3HTTKMT2AALDH1A1NPC1
Hydrochloric Acid SCHEMBL8374327 0.69 GAA (0.61) NEU3HTTKMT2AALDH1A1NPC1

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