SCHEMBL9508868

SCHEMBL9508868

Cc1ccccc1Nc1nc(Nc2ccccc2C)c2cc(O)ccc2n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.60
LMNA P02545 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
GAA P10253 1/20 0.52
MAPT P10636 1/20 0.52
ALOX15 P16050 1/20 0.52
CASP1 P29466 1/20 0.52
CASP7 P55210 1/20 0.52
RUNX1 Q01196 1/20 0.52
CBFB Q13951 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NPC1 O15118 1/20 0.52
PKM P14618 1/20 0.52
NFKB1 P19838 1/20 0.52
RAB9A P51151 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
AURKA O14965 1/20 0.48

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
Bromide SCHEMBL9508822 0.99 SLC2A1 (0.59) SLC2A1LMNAKDM4EALDH1A1GAA
SCHEMBL9511859 0.92 SLC2A1 (0.52) SLC2A1LMNAKDM4EALDH1A1GAA
Hydrochloric Acid SCHEMBL9508193 0.91 SLC2A1 (0.54) SLC2A1LMNAKDM4EALDH1A1GAA
SCHEMBL9776700 0.83 SLC2A1 (0.83) SLC2A1LMNAKDM4EALDH1A1MAPT
SCHEMBL9508208 0.82 SLC2A1 (0.57) SLC2A1LMNANPC1PKMNFKB1
Hydrochloric Acid SCHEMBL9776677 0.81 SLC2A1 (0.86) SLC2A1LMNAKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL9776708 0.81 SLC2A1 (0.60) SLC2A1LMNANPC1PKMNFKB1
SCHEMBL9508870 0.80
Alcohol SCHEMBL9811751 0.80 SLC2A1 (0.73) SLC2A1LMNAKDM4EALDH1A1MAPT
Bromide SCHEMBL9508831 0.79

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
EP-0404322-B1 QUINAZOLINE DERIVATIVES SMITHKLINE BEECHAM INTERCREDIT B.V. (NL) 1993-09-22 EP claimed