SCHEMBL2406778

SCHEMBL2406778

CC(C)c1cc(C(C)C)c2oc3ccccc3c2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNKS O95271 1/20 0.47
PARP1 P09874 1/20 0.47
TNKS2 Q9H2K2 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
AHR P35869 3/20 0.44
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
CYP2C9 P11712 1/20 0.38
NQO1 P15559 1/20 0.38
CRHBP P24387 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
CRHR2 Q13324 1/20 0.38
HIF1A Q16665 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
HTT P42858 2/20 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
SCHEMBL29521208 0.88 TNKS (0.49) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL3991831 0.88 TNKS (0.49) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL472732 0.88 TNKS (0.43) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL16806171 0.82 GABRA1 (0.38) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL24146486 0.82 AHR (0.42) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL26415921 0.81 PLA2G2A (0.42) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL24522205 0.80 DYRK1A (0.42) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL24501837 0.80 TNKS (0.43) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL14295229 0.79 AHR (0.46) TNKSPARP1TNKS2HDAC6PARP2
SCHEMBL1102400 0.79 ALOX5 (0.42) TNKSPARP1TNKS2HDAC6PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2539913-A1 PHOSPHORESCENT EMITTERS Universal Display Corporation (US) 2013-01-02 EP disclosed
WO-2011106344-A1 PHOSPHORESCENT EMITTERS UNIVERSAL DISPLAY CORPORATION (US) 2011-09-01 WO disclosed