SCHEMBL7709502

SCHEMBL7709502

O=C1c2cc(Br)cc3c(N4CCCC4)c(Cl)cc(c23)C(=O)N1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.40
MAPT P10636 2/20 0.40
CYP1A2 P05177 1/20 0.40
ERCC1 P07992 1/20 0.40
TSHR P16473 1/20 0.40
ALOX12 P18054 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LMNA P02545 3/20 0.36
XBP1 P17861 2/20 0.36
HTT P42858 2/20 0.36
HIF1A Q16665 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
KMT2A Q03164 3/20 0.30
MEN1 O00255 2/20 0.30
USP2 O75604 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PABPC1 P11940 1/20 0.30

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
SCHEMBL7703710 0.83 NPSR1 (0.38) MAPTTSHRLMNAHTT
SCHEMBL7709472 0.80 MEN1 (0.40) POLBMAPTCYP1A2ERCC1TSHR
SCHEMBL7709788 0.78 KMT2A (0.47) POLBMAPTCYP1A2ERCC1TSHR
SCHEMBL7709659 0.77 KMT2A (0.49) POLBMAPTCYP1A2ERCC1TSHR
SCHEMBL7709790 0.71 HTT (0.53) POLBMAPTCYP1A2ERCC1TSHR
SCHEMBL7712180 0.70 HTT (0.55) POLBMAPTCYP1A2ERCC1TSHR
SCHEMBL7709649 0.68 MAPT (0.42) POLBMAPTCYP1A2ERCC1TSHR
SCHEMBL7709199 0.67 MAPT (0.35) POLBMAPTCYP1A2ERCC1TSHR
SCHEMBL7703758 0.66 ALDH1A1 (0.48) POLBMAPTCYP1A2TDP1LMNA
SCHEMBL7712148 0.66 MAPT (0.53) POLBMAPTCYP1A2ERCC1TSHR

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 3 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