SCHEMBL7709650

SCHEMBL7709650

CC(=O)OCCOc1cc2c3c(cccc3c1)C(=O)N(OCc1ccccc1)C2=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.47
TDP1 Q9NUW8 1/20 0.42
MAPT P10636 4/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 4/20 0.39
KDM4E B2RXH2 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAD52 P43351 1/20 0.37
NPSR1 Q6W5P4 2/20 0.37
GRM5 P41594 2/20 0.36
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RECQL P46063 1/20 0.36
CLTC Q00610 1/20 0.36

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
SCHEMBL7709479 0.87 TDP1 (0.42) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL7711959 0.84 MCHR1 (0.45) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL7706696 0.83 RXFP1 (0.54) RXFP1TDP1MAPTMEN1KMT2A
SCHEMBL7703774 0.78 TDP1 (0.50) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL7703791 0.78 MAPT (0.49) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL7712144 0.77 TDP1 (0.40) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL7706716 0.75 MAPT (0.57) RXFP1TDP1MAPTMEN1KMT2A
SCHEMBL7709423 0.71 NTRK1 (0.57) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL28870673 0.70 ERCC1 (0.53) RXFP1TDP1MAPTKMT2AALDH1A1
SCHEMBL12155180 0.70 GAA (0.64) TDP1MAPTMEN1KMT2AALDH1A1

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