SCHEMBL28870673

SCHEMBL28870673

COCCOc1cc2c3c(cccc3c1)C(=O)N(O)C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC1 P07992 1/20 0.53
FEN1 P39748 1/20 0.53
ERCC4 Q92889 1/20 0.53
RAD52 P43351 1/20 0.47
HEXA P06865 6/20 0.43
HEXB P07686 6/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PABPC1 P11940 1/20 0.43
XBP1 P17861 1/20 0.43
NFKB1 P19838 1/20 0.43
HTT P42858 1/20 0.43
SMARCA2 P51531 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
CYP1B1 Q16678 1/20 0.41

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
SCHEMBL13829160 0.96 ERCC1 (0.49) ERCC1FEN1ERCC4RAD52HEXA
SCHEMBL13829105 0.88 ERCC1 (0.50) ERCC1FEN1ERCC4RAD52HEXA
SCHEMBL7709925 0.87 ERCC1 (0.55) ERCC1FEN1ERCC4RAD52HEXA
SCHEMBL7706696 0.86 RXFP1 (0.54) ERCC1FEN1ERCC4RAD52HEXA
SCHEMBL7706739 0.85 ERCC1 (0.57) ERCC1FEN1ERCC4RAD52HEXA
SCHEMBL7709551 0.85 ERCC1 (0.50) ERCC1FEN1ERCC4RAD52HEXA
SCHEMBL21161649 0.84 MPO (0.51) RAD52HEXAHEXBKMT2AKDM4E
SCHEMBL7709804 0.84 ERCC1 (0.62) ERCC1FEN1ERCC4RAD52HEXA
SCHEMBL7709966 0.84 ERCC1 (0.51) ERCC1FEN1ERCC4RAD52HEXA
SCHEMBL26068480 0.79 KDM4E (0.41) RAD52HEXAHEXBKMT2AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109384720-A The method for synthesizing 6- (2- methoxy ethoxy)-N- hydroxynaphthylimide trifluoromethanesulfonic acid 上海博栋化学科技有限公司 2019-02-26 CN claimed