SCHEMBL4431582

SCHEMBL4431582

c1ccc(-c2cccc3ccccc23)c(-c2ncco2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
ALDH1A1 P00352 6/20 0.45
MAPT P10636 6/20 0.45
KDM4E B2RXH2 5/20 0.45
HPGD P15428 5/20 0.45
HSD17B10 Q99714 4/20 0.45
GAA P10253 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.44
MAPK1 P28482 3/20 0.44
NPC1 O15118 3/20 0.44
TP53 P04637 2/20 0.44
BCHE P06276 2/20 0.42
ACHE P22303 1/20 0.42
RAB9A P51151 3/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
ATM Q13315 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
SCHEMBL50810 0.93 ALDH1A1 (0.51) BRD4ALDH1A1MAPTKDM4EHPGD
Pyridine SCHEMBL27424099 0.85 KDM4E (0.49) BRD4ALDH1A1MAPTKDM4EHPGD
SCHEMBL31241245 0.85 MAPT (0.49) BRD4ALDH1A1MAPTKDM4EHPGD
SCHEMBL20526076 0.85 MAPT (0.49) BRD4ALDH1A1MAPTKDM4EHPGD
SCHEMBL5701217 0.84 MAPT (0.43) BRD4ALDH1A1MAPTKDM4EHPGD
SCHEMBL19968132 0.84 BRD4 (0.39) BRD4ALDH1A1MAPTKDM4EHPGD
SCHEMBL26259967 0.83 BRD4 (0.53) BRD4ALDH1A1MAPTKDM4EHPGD
SCHEMBL1919495 0.83 HPGDS (0.52) BRD4PIN1HPGDSLTA4H
SCHEMBL11363800 0.79 BRD4 (0.57) BRD4ALDH1A1MAPTKDM4EHPGD
SCHEMBL21381930 0.79 BRD4 (0.50) BRD4ALDH1A1MAPTKDM4EHPGD

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
EP-1702006-B1 POLYMER COMPOSITIONS, METHOD OF MANUFACTURE, AND ARTICLES FORMED THEREFROM SABIC INNOVATIVE PLASTICS IP (NL) 2009-06-17 EP disclosed
US-4806757-A Information reading apparatus for radiation image HITACHI, LTD. (JP) 1989-02-21 US disclosed