SCHEMBL8900520

SCHEMBL8900520

CCc1nccn1-c1cc(C(=O)O)ccc1NC(C)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 4/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
NEU3 Q9UQ49 1/20 0.41
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
GAA P10253 4/20 0.39
THRB P10828 2/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
PLEC Q15149 1/20 0.39
ALPG P10696 2/20 0.39
PLAA Q9Y263 1/20 0.39
ALPL P05186 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL8902193 0.94 ALDH1A1 (0.39) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL8900474 0.84 NEU3 (0.47) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL8902205 0.82 ALPG (0.35) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
Trifluoroacetic Acid SCHEMBL8901557 0.78 NEU3 (0.42) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL8902702 0.76 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL8901433 0.75 ALDH1A1 (0.44) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL29079482 0.74 NR4A1 (0.60) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2
SCHEMBL15974872 0.73 KDM5A (0.50) KDM5AKDM4CKDM5B
SCHEMBL8892835 0.73 ADH5 (0.48) ALDH1A1MEN1KMT2ASMN1; SMN2NEU3
SCHEMBL3343373 0.72 NEU3 (0.55) ALDH1A1HPGDMEN1KMT2ASMN1; SMN2

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