SCHEMBL30003609

SCHEMBL30003609

NC1=CC(=O)c2c(O)cccc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.64
KMT2A Q03164 5/20 0.64
KDM4E B2RXH2 4/20 0.64
RECQL P46063 4/20 0.64
HPGD P15428 4/20 0.64
TDP1 Q9NUW8 4/20 0.64
MEN1 O00255 4/20 0.64
ALDH1A1 P00352 3/20 0.64
ALOX15 P16050 3/20 0.64
MAPK1 P28482 3/20 0.64
HSD17B10 Q99714 3/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
BLM P54132 3/20 0.64
TRPA1 O75762 2/20 0.64
TP53 P04637 2/20 0.64
CYP3A4 P08684 2/20 0.64
CASP1 P29466 2/20 0.64
CDC25B P30305 2/20 0.64
CASP7 P55210 2/20 0.64
MAP2K7 O14733 1/20 0.64

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
SCHEMBL16879125 1.00 MAPT (0.64) MAPTKMT2AKDM4ERECQLHPGD
SCHEMBL16879551 0.85 P4HB (0.64) MAPTKMT2AKDM4ERECQLHPGD
SCHEMBL109904 0.81 MAPT (0.72) MAPTKMT2AKDM4ERECQLHPGD
SCHEMBL30594726 0.81 ADORA2A (0.57) MAPTKMT2AKDM4ERECQLHPGD
SCHEMBL28371089 0.81 ADORA2A (0.57) MAPTKMT2AKDM4ERECQLHPGD
SCHEMBL29405399 0.81 MAPT (0.72) MAPTKMT2AKDM4ERECQLHPGD
SCHEMBL15477882 0.80 STAT3 (0.57) MAPTKMT2AKDM4ERECQLHPGD
SCHEMBL29715761 0.80 STAT3 (0.58) MAPTKMT2AKDM4ERECQLHPGD
SCHEMBL23271937 0.79 ALDH1A1 (0.47) MAPTKMT2AKDM4ERECQLHPGD
SCHEMBL30002641 0.79 ALDH1A1 (0.47) MAPTKMT2AKDM4ERECQLHPGD

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed