SCHEMBL18138239

SCHEMBL18138239

CC(C)(C)OC(=O)Nc1nn(CC2CC2)cc1N=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.39
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
GFER P55789 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OGFRL1 Q5TC84 1/20 0.33
AAK1 Q2M2I8 1/20 0.33
JAK1 P23458 3/20 0.33
JAK2 O60674 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL18138249 0.82 CNR2 (0.35) ALDH1A1KMT2AHDAC3HDAC8NCOR2
SCHEMBL18138297 0.74 GSK3B (0.33) KMT2AHDAC3HDAC8NCOR2GSK3B
SCHEMBL24828638 0.70 RAB9A (0.49) ALDH1A1KMT2A
SCHEMBL24896677 0.68 L3MBTL1 (0.46) ALDH1A1KMT2AHDAC3HDAC8NCOR2
SCHEMBL24828548 0.67 DRD2 (0.37) DRD2GFERHDAC3HDAC8NCOR2
SCHEMBL25360606 0.67 GSK3B (0.38) DRD2GSK3BDYRK1A
SCHEMBL18138240 0.67 FGFR1 (0.31) ALDH1A1KMT2A
SCHEMBL24506914 0.67 SLC34A1 (0.46) DRD2
SCHEMBL22858331 0.67 AAK1 (0.39) DRD2ALDH1A1KMT2AGFEROPRM1
SCHEMBL19026780 0.66 RAB9A (0.36) KMT2A

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
WO-2016164754-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2016-10-13 WO disclosed