SCHEMBL7706744

SCHEMBL7706744

CC(=O)Nc1cc2c3c(cccc3c1Cl)C(=O)N(OC(C)(C)C)C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 3/20 0.46
GAA P10253 2/20 0.46
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
USP2 O75604 2/20 0.39
BLM P54132 1/20 0.39
PARP14 Q460N5 2/20 0.37
MAOA P21397 1/20 0.37
HSP90AA1 P07900 2/20 0.35
HSP90AB1 P08238 2/20 0.35
HPGD P15428 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
ERCC1 P07992 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
ALOX12 P18054 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35

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
SCHEMBL7703797 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL7703735 0.81 KDM4E (0.44) ALDH1A1KDM4EMEN1KMT2AUSP2
SCHEMBL7709637 0.76 TYMS (0.48) ALDH1A1KDM4EGAAPARP14MAOA
SCHEMBL7703729 0.75 MEN1 (0.44) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL7709632 0.69 CYP1B1 (0.58) ALDH1A1KDM4EMEN1KMT2APOLB
SCHEMBL7712213 0.68 PRMT1 (0.46) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL5964469 0.67 ALDH1A1 (0.71) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL7850554 0.65 GAA (0.47) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL7706721 0.65 HTT (0.50) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL9437196 0.64 ALDH1A1 (0.67) ALDH1A1KDM4EGAAMEN1KMT2A

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