SCHEMBL7703849

SCHEMBL7703849

Nc1cc2c3c(cccc3c1N1CCCC1)C(=O)N(O)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 6/20 0.53
LMNA P02545 3/20 0.53
XBP1 P17861 2/20 0.53
HIF1A Q16665 1/20 0.53
MAPT P10636 6/20 0.50
POLB P06746 3/20 0.50
ERCC1 P07992 2/20 0.50
FEN1 P39748 2/20 0.50
ERCC4 Q92889 2/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CYP1A2 P05177 1/20 0.50
ALOX12 P18054 1/20 0.50
KMT2A Q03164 13/20 0.47
ALDH1A1 P00352 5/20 0.47
KDM4E B2RXH2 3/20 0.47
PABPC1 P11940 1/20 0.47
NFKB1 P19838 1/20 0.47
SMARCA2 P51531 1/20 0.47
NFKB2 Q00653 1/20 0.47

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
SCHEMBL7709621 0.84 HTT (0.53) HTTLMNAXBP1HIF1AMAPT
SCHEMBL7709790 0.84 HTT (0.53) HTTLMNAXBP1HIF1AMAPT
SCHEMBL7712180 0.83 HTT (0.55) HTTLMNAXBP1HIF1AMAPT
SCHEMBL7709679 0.81 HTT (0.50) HTTLMNAXBP1HIF1AMAPT
SCHEMBL7712199 0.81 KMT2A (0.64) HTTLMNAXBP1HIF1AMAPT
SCHEMBL7706806 0.80 KMT2A (0.62) HTTLMNAXBP1HIF1AMAPT
SCHEMBL7712259 0.80 ALDH1A1 (0.66) HTTLMNAXBP1HIF1AMAPT
SCHEMBL7709658 0.80 HTT (0.52) HTTLMNAXBP1HIF1AMAPT
SCHEMBL7706721 0.78 HTT (0.50) HTTLMNAXBP1HIF1AMAPT
SCHEMBL7709797 0.77 KMT2A (0.67) HTTLMNAXBP1HIF1AMAPT

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 6 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-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