SCHEMBL7706730

SCHEMBL7706730

COc1cc2c3c(cccc3c1[N+](=O)[O-])C(=O)N(O)C2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.61
MAPT P10636 5/20 0.61
ALDH1A1 P00352 4/20 0.61
POLB P06746 4/20 0.61
LMNA P02545 4/20 0.61
XBP1 P17861 2/20 0.61
PABPC1 P11940 2/20 0.61
HTT P42858 2/20 0.61
KDM4E B2RXH2 1/20 0.61
NFKB1 P19838 1/20 0.61
SMARCA2 P51531 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
MEN1 O00255 7/20 0.56
NPC1 O15118 4/20 0.56
RAB9A P51151 2/20 0.56
PRMT1 Q99873 1/20 0.46
ERCC1 P07992 2/20 0.45
FEN1 P39748 2/20 0.45
ERCC4 Q92889 2/20 0.45

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
SCHEMBL7709580 0.82 KMT2A (0.68) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL7712214 0.81 MAPT (0.71) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL7709930 0.81 KMT2A (0.60) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL7712218 0.81 KMT2A (0.46) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL7712200 0.80 KMT2A (0.50) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL7709560 0.80 ALDH1A1 (0.44) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL7709844 0.79 KMT2A (0.68) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL7709426 0.79 KMT2A (0.68) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL7703824 0.77 KMT2A (1.00) KMT2AMAPTALDH1A1POLBLMNA
SCHEMBL7703783 0.76 KMT2A (0.63) KMT2AMAPTALDH1A1POLBLMNA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US claimed
US-6362181-B1 BACTERICIDES; ENZYME INHIBITORS; ANTITUMOR AGENTS WARNER-LAMBERT COMPANY 2002-03-26 US disclosed
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 disclosed
EP-0939754-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1999-09-08 EP disclosed
WO-1998019648-A2 N-OXY-NAPHTHALIMIDES AS ANTIBACTERIAL AGENTS WARNER-LAMBERT COMPANY (US) 1998-05-14 WO disclosed