SCHEMBL13604172

SCHEMBL13604172

CC(C)(C(=O)O)n1nnc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.50
MGAM O43451 4/20 0.50
AMY1A P0DUB6 4/20 0.50
SI P14410 4/20 0.50
MGAM2 Q2M2H8 4/20 0.50
SLC9A1 P19634 3/20 0.50
KMT2A Q03164 2/20 0.50
F2 P00734 2/20 0.50
HPGD P15428 1/20 0.50
HCAR3 P49019 1/20 0.49
POLB P06746 2/20 0.48
APAF1 O14727 1/20 0.48
EGLN3 Q9H6Z9 1/20 0.47
PTPN1 P18031 3/20 0.47
PTPRC P08575 2/20 0.47
MAPK1 P28482 1/20 0.47
ATM Q13315 1/20 0.47
KEAP1 Q14145 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL25877503 0.80 SLC9A1 (0.52) GAAMGAMAMY1ASIMGAM2
SCHEMBL7760804 0.80 SLC9A1 (0.55) SLC9A1HCAR3POLBPTPN1PTPRC
SCHEMBL27388723 0.79 SLC9A1 (0.43) GAAMGAMAMY1ASIMGAM2
SCHEMBL7377513 0.79 DGAT1 (0.44) GAAMGAMAMY1ASIMGAM2
SCHEMBL28763687 0.78 POLB (0.48) GAAMGAMAMY1ASIMGAM2
SCHEMBL3263356 0.78 GAA (0.45) GAAMGAMAMY1ASIMGAM2
SCHEMBL13351503 0.77 SLC9A1 (0.48) SLC9A1KMT2APOLBPTPN1PTPRC
SCHEMBL11251131 0.77 SLC9A1 (0.44) GAAMGAMAMY1ASIMGAM2
SCHEMBL11251127 0.77 SLC9A1 (0.44) GAAMGAMAMY1ASIMGAM2
SCHEMBL10607208 0.77 SLC9A1 (0.52) SLC9A1POLBPTPN1PTPRCMAPK1

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