SCHEMBL9968077

SCHEMBL9968077

Cn1c2ccc(CC(C)(C)C)cc2c2nc(CC(C)(C)C)ccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 0.38
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
GAA P10253 1/20 0.37
NR1I2 O75469 1/20 0.32
AHR P35869 1/20 0.32
ESR1 P03372 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
HTT P42858 1/20 0.32
HCRTR1 O43613 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31

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
SCHEMBL9968069 0.83 PDE10A (0.34) MEN1KMT2AGAA
SCHEMBL9968096 0.82 GPR3 (0.44) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9968190 0.77
SCHEMBL20385042 0.74 ALDH1A1 (0.46) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9968160 0.74 GPR3 (0.53) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9968189 0.74 PTGER4 (0.30) KDM4E
SCHEMBL9968103 0.72 MAOA (0.43) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9968126 0.72 PDE10A (0.44) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL9968162 0.72 MAPT (0.44) MAPTALDH1A1HPGDKDM4EHSD17B10
SCHEMBL9968122 0.71 KDM4E (0.41) MAPTALDH1A1HPGDKDM4EHSD17B10

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
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed
US-20120153817-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-06-21 US disclosed