SCHEMBL9968145

SCHEMBL9968145

CC(C)Cc1ccc2c3cc(C(c4ccccc4)(c4ccccc4)c4ccc5c(c4)c4ccc(CC(C)C)nc4n5-c4ccccc4)ccc3n(-c3ccccc3)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.36
DRD1 P21728 2/20 0.35
DRD5 P21918 2/20 0.35
PDE10A Q9Y233 1/20 0.34
ACSS2 Q9NR19 1/20 0.33
MAT2A P31153 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
TLR7 Q9NYK1 1/20 0.31
TEAD1 P28347 1/20 0.30
TEAD4 Q15561 1/20 0.30
TEAD2 Q15562 1/20 0.30
TEAD3 Q99594 1/20 0.30
DNMT1 P26358 3/20 0.30
PGR P06401 1/20 0.30
RORA P35398 1/20 0.30

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
SCHEMBL9968261 0.81 PPARG (0.35) HTR6DRD1DRD5PDE10AACSS2
SCHEMBL25665974 0.75 KDM4E (0.50) MAT2AALDH1A1MAPTMAPK1PPARG
SCHEMBL9968271 0.72 DRD1 (0.34) HTR6DRD1DRD5PDE10AALDH1A1
SCHEMBL5436170 0.71 PPARG (0.43) PPARGPPARADNMT1PGRRORA
SCHEMBL29756569 0.71 PPARG (0.43) PPARGPPARADNMT1PGRRORA
SCHEMBL14000302 0.71 L3MBTL1 (0.60) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL25665970 0.71 L3MBTL1 (0.60) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL13232864 0.68 KDM4E (0.55) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL24398159 0.68 L3MBTL1 (0.55) ALDH1A1MAPTMAPK1NPSR1PPARG
SCHEMBL24398190 0.68 L3MBTL1 (0.55) ALDH1A1MAPTMAPK1NPSR1PPARG

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