SCHEMBL13604183

SCHEMBL13604183

Cc1ccc(C)n1-n1nnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 9/20 0.52
KEAP1 Q14145 1/20 0.52
DGAT1 O75907 1/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPT P10636 1/20 0.47
CYP2C9 P11712 1/20 0.47
THPO P40225 1/20 0.47
CYP4Z1 Q86W10 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.42
GAA P10253 3/20 0.42
MGAM O43451 2/20 0.42
AMY1A P0DUB6 2/20 0.42
SI P14410 2/20 0.42
RAB9A P51151 2/20 0.42

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
SCHEMBL3072391 0.81 SLC9A1 (0.60) SLC9A1KEAP1DGAT1ALDH1A1POLB
SCHEMBL5635050 0.74 GAA (0.49) SLC9A1KEAP1DGAT1ALDH1A1POLB
SCHEMBL9464698 0.72 SLC9A1 (0.50) SLC9A1KEAP1DGAT1ALDH1A1POLB
SCHEMBL20710852 0.72 SLC9A1 (0.50) SLC9A1KEAP1DGAT1ALDH1A1POLB
SCHEMBL11272158 0.72 SLC9A1 (0.50) SLC9A1KEAP1DGAT1ALDH1A1POLB
SCHEMBL1151656 0.71 SLC9A1 (0.95) SLC9A1KEAP1DGAT1ALDH1A1POLB
SCHEMBL30518786 0.69 MAPK1 (0.49) SLC9A1KEAP1DGAT1ALDH1A1POLB
SCHEMBL170155 0.69 SLC9A1 (1.00) SLC9A1KEAP1DGAT1ALDH1A1POLB
SCHEMBL29720118 0.69 SLC9A1 (1.00) SLC9A1KEAP1DGAT1ALDH1A1POLB
SCHEMBL3107495 0.69 SLC9A1 (0.56) SLC9A1KEAP1DGAT1ALDH1A1POLB

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