SCHEMBL15829307

SCHEMBL15829307

CC1CCc2sccc2C1

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.51
DRD3 P35462 4/20 0.51
PNMT P11086 1/20 0.41
GRIN2B Q13224 8/20 0.41
ALDH1A1 P00352 3/20 0.41
AKR1C3 P42330 1/20 0.40
NPC1 O15118 3/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8431968 0.83 DRD2 (0.51) DRD2DRD3PNMTGRIN2BNPC1
SCHEMBL15576825 0.80
SCHEMBL9414701 0.75 PLAU (0.50) DRD2DRD3PNMTGRIN2BALDH1A1
SCHEMBL31564183 0.75 PLAU (0.50) DRD2DRD3PNMTGRIN2BALDH1A1
SCHEMBL31564092 0.75 PLAU (0.50) DRD2DRD3PNMTGRIN2BALDH1A1
SCHEMBL25086428 0.75 DRD2 (0.47) DRD2DRD3PNMTGRIN2BALDH1A1
SCHEMBL31563810 0.75 DRD2 (0.47) DRD2DRD3PNMTGRIN2BAKR1C3
SCHEMBL31564202 0.75 DRD2 (0.47) DRD2DRD3PNMTGRIN2BAKR1C3
SCHEMBL31563806 0.75 DRD2 (0.47) DRD2DRD3PNMTGRIN2BAKR1C3
SCHEMBL31564352 0.75 DRD2 (0.47) DRD2DRD3PNMTGRIN2BAKR1C3

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
EP-2646444-B1 SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS AS MODULATORS OF EPIGENETIC ENZYMES EPIZYME INC (US) 2016-03-16 EP disclosed
EP-2646441-B1 CARBOCYCLE-SUBSTITUTED PURINE AND 7-DEAZAPURINE COMPOUNDS EPIZYME INC (US) 2015-12-02 EP disclosed
WO-2014153001-A1 COMBINATION THERAPY FOR TREATING CANCER Epizyme, Inc. (US) 2014-09-25 WO disclosed
WO-2014100662-A1 DOT1 L INHIBITORS FOR USE IN THE TREATMENT OF LEUKEMIA Epizyme, Inc. (US) 2014-06-26 WO disclosed