SCHEMBL7706740

SCHEMBL7706740

COc1cc2c3c(cccc3c1CN)C(=O)OC2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
POLB P06746 2/20 0.47
TYMS P04818 6/20 0.42
PRMT1 Q99873 1/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
LMNA P02545 1/20 0.40
PABPC1 P11940 1/20 0.40
XBP1 P17861 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
SMARCA2 P51531 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CD274 Q9NZQ7 5/20 0.39
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 2/20 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
SCHEMBL7703783 0.80 KMT2A (0.63) KMT2AMEN1POLBPRMT1MAPT
SCHEMBL7709465 0.80 POLB (0.51) KMT2AMEN1POLBTYMSPRMT1
SCHEMBL7709815 0.78 TYMS (0.45) KMT2AMEN1POLBTYMSMAPT
SCHEMBL7703768 0.77 ALDH1A1 (0.47) KMT2AMEN1POLBTYMSMAPT
SCHEMBL30761754 0.76 KMT2A (0.76) KMT2AMEN1POLBTYMSPRMT1
SCHEMBL6548245 0.76 KMT2A (0.76) KMT2AMEN1POLBTYMSPRMT1
SCHEMBL9079018 0.74 KMT2A (0.49) KMT2AMEN1POLBTYMSPRMT1
SCHEMBL7712218 0.74 KMT2A (0.46) KMT2AMEN1POLBTYMSPRMT1
SCHEMBL7709648 0.70 TYMS (0.45) KMT2AMEN1POLBTYMSPRMT1
SCHEMBL16789874 0.68 CYP3A4 (0.43) KMT2AMEN1POLBMAPTKDM4E

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 4 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 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