SCHEMBL3396642

SCHEMBL3396642

O=c1c(F)c(F)c2ccccc2n1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
ATM Q13315 1/20 0.36
KDM4E B2RXH2 4/20 0.35
ERCC1 P07992 1/20 0.35
FEN1 P39748 1/20 0.35
ERCC4 Q92889 1/20 0.35
HSD17B10 Q99714 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HPGD P15428 2/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
PGR P06401 2/20 0.33
GPR3 P46089 1/20 0.33
MAPK14 Q16539 1/20 0.33
METAP2 P50579 1/20 0.33

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
SCHEMBL29655556 0.75 KMT2A (0.40) ALDH1A1KDM4ELMNATSHR
SCHEMBL5189056 0.75 KMT2A (0.40) ALDH1A1KDM4ELMNATSHR
SCHEMBL11959493 0.74 GPR3 (0.55) ALDH1A1ATMKDM4EGPR3
SCHEMBL9851534 0.73 ATM (0.42) ALDH1A1ATMKDM4EHSD17B10HPGD
SCHEMBL25209855 0.72 ERCC1 (0.44) ALDH1A1KDM4EERCC1FEN1ERCC4
SCHEMBL23002860 0.69 KDM4E (0.39) ALDH1A1ATMKDM4EHSD17B10SMN1; SMN2
SCHEMBL30410617 0.67 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDMAPK14
SCHEMBL28863436 0.67 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2HPGDMAPK14
SCHEMBL1382913 0.65 PARP1 (0.42) ALDH1A1KDM4EHSD17B10HPGDLMNA
SCHEMBL29642546 0.65 HSD17B10 (0.39) ALDH1A1KDM4EHSD17B10SMN1; SMN2HPGD

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
WO-2010058314-A1 HYDROXYQUINOLIN-2(1H)-ONES AND DERIVATIVES THEREOF PFIZER INC. (US) 2010-05-27 WO disclosed