SCHEMBL8892733

SCHEMBL8892733

CC(=O)Nc1ccc(C(=O)O)cc1-n1ccnc1-c1cccc([N+](=O)[O-])c1N

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.42
MEN1 O00255 3/20 0.42
POLB P06746 2/20 0.42
CASP6 P55212 1/20 0.42
TLR9 Q9NR96 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HCAR3 P49019 6/20 0.39
MYC P01106 2/20 0.38
MAX P61244 2/20 0.38
LMNA P02545 3/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HTT P42858 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL8900474 0.76 NEU3 (0.47) KMT2AMEN1POLBL3MBTL1MAPT
SCHEMBL8900520 0.71 ALDH1A1 (0.43) KMT2AMEN1POLBLMNAMAPT
Trifluoroacetic Acid SCHEMBL8901557 0.70 NEU3 (0.42) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL5508098 0.70 MAPT (0.55) KMT2AMEN1POLBL3MBTL1LMNA
SCHEMBL3613079 0.69 HCAR3 (0.72) KMT2AMEN1CASP6HCAR3MAPT
SCHEMBL31040870 0.69 ALDH1A1 (0.56) KMT2AMEN1POLBCASP6TLR9
SCHEMBL8892711 0.68 KEAP1 (0.46) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL4488089 0.67 CASP6 (0.60) KMT2AMEN1CASP6HCAR3LMNA
Trifluoroacetic Acid SCHEMBL8902193 0.66 ALDH1A1 (0.39) KMT2AMEN1LMNAMAPTALDH1A1
SCHEMBL5162025 0.65 CLTC (0.69) KMT2AMEN1POLBCASP6TLR9

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