SCHEMBL7706698

SCHEMBL7706698

O=C1c2ccc(Cl)c3c(N4CCCC4)cc(Cl)c(c23)C(=O)N1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.44
POLB P06746 4/20 0.44
TSHR P16473 3/20 0.44
ERCC1 P07992 2/20 0.44
FEN1 P39748 2/20 0.44
ERCC4 Q92889 2/20 0.44
ALOX12 P18054 2/20 0.44
CYP1A2 P05177 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
NSD2 O96028 1/20 0.38
HTT P42858 4/20 0.37
LMNA P02545 2/20 0.37
XBP1 P17861 1/20 0.37
HIF1A Q16665 1/20 0.37
ALDH1A3 P47895 1/20 0.36
ALDH1A1 P00352 6/20 0.35
L3MBTL1 Q9Y468 5/20 0.35
CASP1 P29466 2/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL7709667 0.88 MAPT (0.42) MAPTPOLBTSHRERCC1FEN1
Hydrochloric Acid SCHEMBL7712174 0.82 POLB (0.37) MAPTPOLBTSHRERCC1FEN1
SCHEMBL7709358 0.82 MAPT (0.40) MAPTPOLBTSHRERCC1FEN1
SCHEMBL7709649 0.74 MAPT (0.42) MAPTPOLBTSHRERCC1FEN1
SCHEMBL8578190 0.74 TDP1 (0.44) MAPTTDP1NSD2LMNAL3MBTL1
SCHEMBL11778537 0.72 FEN1 (0.65) MAPTPOLBTSHRERCC1FEN1
SCHEMBL7709797 0.67 KMT2A (0.67) MAPTPOLBTSHRERCC1FEN1
SCHEMBL7709609 0.66 KMT2A (0.69) MAPTPOLBTSHRERCC1FEN1
SCHEMBL7709788 0.66 KMT2A (0.47) MAPTPOLBTSHRERCC1FEN1
SCHEMBL7703800 0.66 KMT2A (0.45) MAPTPOLBTSHRERCC1FEN1

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