SCHEMBL9968271

SCHEMBL9968271

CC(C)Cc1ncc2c3cc(C(C)(c4ccc5c(c4)c4cnc(CC(C)C)nc4n5-c4ccccc4)c4ccc5c(c4)c4cnc(CC(C)C)nc4n5-c4ccccc4)ccc3n(-c3ccccc3)c2n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 1/20 0.34
DRD5 P21918 1/20 0.34
HTR6 P50406 1/20 0.34
PDE10A Q9Y233 1/20 0.32
CDK4 P11802 1/20 0.31
CDK6 Q00534 1/20 0.31
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 2/20 0.31
MAPT P10636 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ALDH1A2 O94788 1/20 0.31
ALDH1A3 P47895 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 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
SCHEMBL9968149 0.77 GSK3B (0.33) CDK4CDK6ALDH1A1MAPK1MAPT
SCHEMBL9968145 0.72 HTR6 (0.36) DRD1DRD5HTR6PDE10AALDH1A1
SCHEMBL9968261 0.69 PPARG (0.35) DRD1DRD5HTR6PDE10APPARG
SCHEMBL9968053 0.69 CYP1A2 (0.40) ALDH1A1MAPK1MEN1KMT2AKDM4E
SCHEMBL9968072 0.67 DRD1 (0.46) DRD1DRD5ALDH1A1MAPTNPSR1
SCHEMBL9968262 0.67 ALDH1A1 (0.33) CDK4CDK6ALDH1A1MAPK1MAPT
SCHEMBL9968248 0.67 PGR (0.34) ALDH1A1MAPK1MAPTNPSR1ALDH1A2
SCHEMBL9968266 0.67 PGR (0.35) ALDH1A1MAPK1MAPTNPSR1PPARG
SCHEMBL31621190 0.67 L3MBTL1 (0.52) ALDH1A1MAPK1MAPTNPSR1PPARG
SCHEMBL13146817 0.67 L3MBTL1 (0.52) ALDH1A1MAPK1MAPTNPSR1PPARG

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