SCHEMBL7706899

SCHEMBL7706899

CN1CCN(c2c(Br)cc3c4c(cccc24)C(=O)N(O)C3=O)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
KMT2A Q03164 6/20 0.44
LMNA P02545 5/20 0.44
ALDH1A1 P00352 5/20 0.44
POLB P06746 3/20 0.44
HTT P42858 3/20 0.44
XBP1 P17861 2/20 0.44
KDM4E B2RXH2 2/20 0.44
PABPC1 P11940 2/20 0.44
NFKB1 P19838 1/20 0.44
SMARCA2 P51531 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ERCC1 P07992 2/20 0.44
FEN1 P39748 2/20 0.44
ERCC4 Q92889 2/20 0.44
TSHR P16473 2/20 0.44
CYP1A2 P05177 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
ALOX12 P18054 1/20 0.44

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
SCHEMBL7709790 0.89 HTT (0.53) MAPTKMT2ALMNAALDH1A1POLB
SCHEMBL7712180 0.88 HTT (0.55) MAPTKMT2ALMNAALDH1A1POLB
SCHEMBL7709605 0.83 MAPT (0.57) MAPTKMT2ALMNAALDH1A1POLB
SCHEMBL7709364 0.81 MAPT (0.44) MAPTKMT2ALMNAALDH1A1POLB
SCHEMBL7703698 0.80 CYP1B1 (0.41) MAPTKMT2AALDH1A1POLBKDM4E
SCHEMBL7712299 0.79 POLB (0.40) MAPTKMT2ALMNAALDH1A1POLB
SCHEMBL7709624 0.79 POLB (0.40) MAPTKMT2ALMNAALDH1A1POLB
SCHEMBL7709644 0.78 BRD1 (0.60) MAPTKMT2ALMNAALDH1A1POLB
SCHEMBL7709559 0.77 KMT2A (0.50) MAPTKMT2ALMNAALDH1A1POLB
SCHEMBL7709773 0.74 POLB (0.61) MAPTKMT2ALMNAALDH1A1POLB

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-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
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