SCHEMBL7703741

SCHEMBL7703741

COc1cc2c3c(cccc3c1N1CCC(NC(=O)O)C1)C(=O)N(OC(C)(C)C)C2=O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MDM4 O15151 2/20 0.39
BRD4 O60885 4/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SUV39H2 Q9H5I1 11/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
PABPC1 P11940 1/20 0.35
XBP1 P17861 1/20 0.35
NFKB1 P19838 1/20 0.35
HTT P42858 1/20 0.35
SMARCA2 P51531 1/20 0.35
NFKB2 Q00653 1/20 0.35
KMT2A Q03164 1/20 0.35
RELA Q04206 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL7709992 0.84 BRD4 (0.45) BRD4MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL7703836 0.73 SIGMAR1 (0.37) MTNR1AMTNR1B
SCHEMBL7709561 0.73 BRD1 (0.40) BRD4ALDH1A1KDM4ELMNAPOLB
SCHEMBL7709722 0.72 LMNA (0.36) MTNR1AMTNR1BSUV39H2ALDH1A1KDM4E
SCHEMBL7709645 0.72 POLB (0.52) SUV39H2ALDH1A1KDM4ELMNAPOLB
SCHEMBL7703898 0.72 CTSL (0.39) MTNR1AMTNR1B
SCHEMBL7712213 0.71 PRMT1 (0.46) BRD4ALDH1A1KDM4ELMNAPOLB
SCHEMBL7703797 0.69 ALDH1A1 (0.44) BRD4ALDH1A1KDM4ELMNAPOLB
SCHEMBL7712199 0.68 KMT2A (0.64) ALDH1A1KDM4ELMNAPOLBMAPT
SCHEMBL13538022 0.67 MDM4 (0.45) MDM4MTNR1AMTNR1BKDM4EMAPT

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