SCHEMBL7972269

SCHEMBL7972269

COc1cc2c3c(ccc(N4CCCC4)c3c1)C(=O)N(O)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 10/20 0.46
MAPT P10636 9/20 0.46
HTT P42858 6/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 5/20 0.46
POLB P06746 4/20 0.46
KDM4E B2RXH2 2/20 0.46
XBP1 P17861 2/20 0.46
PABPC1 P11940 1/20 0.46
NFKB1 P19838 1/20 0.46
SMARCA2 P51531 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MEN1 O00255 9/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
USP2 O75604 3/20 0.43
TLR9 Q9NR96 2/20 0.43
TNNI3 P19429 1/20 0.43
TNNT2 P45379 1/20 0.43
TNNC1 P63316 1/20 0.43

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
SCHEMBL7703800 0.83 KMT2A (0.45) KMT2AMAPTHTTALDH1A1LMNA
SCHEMBL7709788 0.80 KMT2A (0.47) KMT2AMAPTHTTALDH1A1LMNA
SCHEMBL7709659 0.79 KMT2A (0.49) KMT2AMAPTHTTALDH1A1LMNA
SCHEMBL7709797 0.76 KMT2A (0.67) KMT2AMAPTHTTALDH1A1LMNA
SCHEMBL7706867 0.76 MEN1 (0.47) KMT2AMAPTHTTALDH1A1LMNA
SCHEMBL7709609 0.75 KMT2A (0.69) KMT2AMAPTHTTALDH1A1LMNA
SCHEMBL7712199 0.72 KMT2A (0.64) KMT2AMAPTHTTALDH1A1LMNA
SCHEMBL7706806 0.72 KMT2A (0.62) KMT2AMAPTHTTALDH1A1LMNA
SCHEMBL7709804 0.70 ERCC1 (0.62) KMT2AMAPTHTTALDH1A1LMNA
SCHEMBL7709644 0.69 BRD1 (0.60) KMT2AMAPTHTTALDH1A1LMNA

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
US-6177423-B1 N-(HYDROXY OR PROTECTED HYDROXY)-BENZO(DE)ISOQUINOLINE-1,3-DIONE DERIVATIVES; BACTERIAL DNA GYRASE AND DNA TOPOISOMERASE INHIBITORS USEFUL FOR ANTIBACTERIAL AGENTS HAVING REDUCED DRUG RESISTANCE AND REDUCED SIDE EFFECTS WARNER-LAMBERT COMPANY 2001-01-23 US claimed