SCHEMBL7706801

SCHEMBL7706801

C=CCON1C(=O)c2ccc(Cl)c3c(Cl)cc(Cl)c(c23)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
MAPT P10636 2/20 0.33
ATM Q13315 1/20 0.33
KDM4E B2RXH2 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
POLB P06746 2/20 0.31
CYP1A2 P05177 1/20 0.31
ERCC1 P07992 1/20 0.31
TSHR P16473 1/20 0.31
ALOX12 P18054 1/20 0.31
FEN1 P39748 1/20 0.31
ERCC4 Q92889 1/20 0.31
HPGD P15428 1/20 0.31
GAA P10253 1/20 0.31
ALOX15 P16050 1/20 0.31
GALR3 O60755 1/20 0.31

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
SCHEMBL7703708 0.85 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTTDP1
SCHEMBL8578909 0.78 TDP1 (0.53) ALDH1A1MEN1KMT2AMAPTATM
SCHEMBL7703705 0.73 ALDH1A1 (0.37) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL1715729 0.72 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTATM
SCHEMBL30767916 0.72 ALDH1A1 (1.00) ALDH1A1MEN1KMT2AMAPTATM
SCHEMBL8677467 0.72 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL11780117 0.68 ALDH1A1 (0.43) ALDH1A1MEN1KMT2AMAPTATM
SCHEMBL12415529 0.68 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AATMNPSR1
SCHEMBL6141672 0.68 ALDH1A1 (0.66) ALDH1A1MEN1KMT2AMAPTKDM4E
SCHEMBL9260950 0.65 ALDH1A1 (0.60) ALDH1A1MEN1KMT2AMAPTATM

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 2 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