SCHEMBL15040780

SCHEMBL15040780

CN=Nn1nnc2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.53
KEAP1 Q14145 1/20 0.53
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
TP53 P04637 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CYP4Z1 Q86W10 2/20 0.48
POLB P06746 1/20 0.48
MAPK1 P28482 1/20 0.48
ATM Q13315 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
THPO P40225 1/20 0.48
DGAT1 O75907 1/20 0.44
GRM2 Q14416 1/20 0.42
KCNMA1 Q12791 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
SCHEMBL5694968 0.90 SLC9A1 (0.54) SLC9A1KEAP1RAB9ANPC1TP53
SCHEMBL1829869 0.82 POLB (0.52) SLC9A1KEAP1RAB9ANPC1TP53
SCHEMBL1259144 0.82 POLB (0.52) SLC9A1KEAP1RAB9ANPC1TP53
SCHEMBL5694930 0.79 SLC9A1 (0.44) SLC9A1KEAP1RAB9ANPC1TP53
SCHEMBL5694929 0.79 SLC9A1 (0.44) SLC9A1KEAP1RAB9ANPC1TP53
SCHEMBL19619922 0.78 SLC9A1 (0.50) SLC9A1KEAP1RAB9ANPC1TP53
SCHEMBL13604205 0.77 SLC9A1 (0.50) SLC9A1KEAP1RAB9ANPC1TP53
SCHEMBL10772822 0.73 SLC9A1 (0.46) SLC9A1KEAP1RAB9ANPC1TP53
SCHEMBL6427181 0.72 SLC9A1 (0.55) SLC9A1KEAP1RAB9ANPC1TP53
SCHEMBL13604190 0.72 SLC9A1 (0.44) SLC9A1KEAP1RAB9ANPC1TP53

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-1437388-B1 Coloring composition and inkjet recording method FUJIFILM CORP (JP) 2013-06-19 EP disclosed