SCHEMBL13604190

SCHEMBL13604190

c1ccc2c(c1)C(=Nn1nnc3ccccc31)c1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44
ATM Q13315 1/20 0.44
KEAP1 Q14145 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
THPO P40225 1/20 0.44
CYP4Z1 Q86W10 1/20 0.44
RAB9A P51151 3/20 0.42
NPC1 O15118 2/20 0.42
TP53 P04637 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DGAT1 O75907 1/20 0.41
GRM2 Q14416 1/20 0.39
KCNN4 O15554 1/20 0.38

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
SCHEMBL13611383 0.77 MAPK1 (0.35) SLC9A1ALDH1A1MAPTPOLBMAPK1
SCHEMBL5694968 0.77 SLC9A1 (0.54) SLC9A1ALDH1A1MAPTPOLBMAPK1
SCHEMBL19619922 0.73 SLC9A1 (0.50) SLC9A1ALDH1A1MAPTPOLBMAPK1
SCHEMBL15040780 0.72 SLC9A1 (0.53) SLC9A1ALDH1A1MAPTPOLBMAPK1
SCHEMBL1829869 0.70 POLB (0.52) SLC9A1ALDH1A1MAPTPOLBMAPK1
SCHEMBL1259144 0.70 POLB (0.52) SLC9A1ALDH1A1MAPTPOLBMAPK1
SCHEMBL13604205 0.69 SLC9A1 (0.50) SLC9A1ALDH1A1MAPTPOLBMAPK1
SCHEMBL10772822 0.69 SLC9A1 (0.46) SLC9A1ALDH1A1MAPTPOLBMAPK1
SCHEMBL5694932 0.68 KCNN4 (0.44) SLC9A1ALDH1A1MAPTPOLBMAPK1
SCHEMBL5694929 0.68 SLC9A1 (0.44) SLC9A1ALDH1A1MAPTPOLBMAPK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7635181-B2 Ink for ink jet-recording curable through irradiation with a radioactive ray and method for preparing lithographic printing plates using the same FUJIFILM CORPORATION (JP) 2009-12-22 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed
US-7306894-B2 Polymerizable composition, photopolymerizing method and process for producing lithographic printing plate using the polymerizable composition FUJIFILM CORPORATION (JP) 2007-12-11 US disclosed