SCHEMBL16601555

SCHEMBL16601555

Cc1ccc(C)c(Nc2ccc(ON)cc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 2/20 0.49
GALR2 O43603 1/20 0.42
GAA P10253 6/20 0.40
ALDH1A1 P00352 4/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HCRTR1 O43613 1/20 0.39
HPGD P15428 2/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
PKM P14618 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37

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
SCHEMBL1921826 0.85 RAPGEF4 (0.63) RAPGEF4GALR2GAAALDH1A1KDM4E
SCHEMBL3634234 0.84 GAA (0.55) RAPGEF4GALR2GAAALDH1A1AKR1C3
SCHEMBL17858219 0.83 RAPGEF4 (0.61) RAPGEF4GALR2GAAALDH1A1KDM4E
SCHEMBL3631723 0.80 MAPT (0.52) RAPGEF4GAAALDH1A1KDM4EHTT
SCHEMBL1921469 0.80 RAPGEF4 (0.57) RAPGEF4GALR2GAAALDH1A1KDM4E
SCHEMBL16601562 0.77 ALDH1A1 (0.54) GAAALDH1A1AKR1C3AKR1C2KDM4E
SCHEMBL8691617 0.76 RAPGEF4 (0.57) RAPGEF4GALR2GAAHTTMAPT
SCHEMBL29196035 0.74 RAPGEF4 (0.71) RAPGEF4GAAALDH1A1KDM4EHTT
SCHEMBL22814248 0.74 ALDH1A1 (0.60) RAPGEF4GAAALDH1A1HTTMAPT
SCHEMBL22814295 0.74 RAPGEF4 (0.50) RAPGEF4GALR2GAAALDH1A1KDM4E

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
US-8993086-B2 Recordable optical recording medium TAIYO YUDEN CO., LTD. (JP) 2015-03-31 US disclosed