SCHEMBL23308307

SCHEMBL23308307

c1ccc(-c2ccc3c(c2)c2ccccc2n3-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccccc4N(c4ccccc4)c4ccccc4)cc3)n2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSPO P30536 4/20 0.38
NPY5R Q15761 2/20 0.34
PTGER4 P35408 6/20 0.32
PDE5A O76074 2/20 0.32
EGLN1 Q9GZT9 1/20 0.30
RAC2 P15153 1/20 0.30
RAC3 P60763 1/20 0.30
CDC42 P60953 1/20 0.30
RAC1 P63000 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
CRHR1 P34998 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
SCHEMBL23308325 0.95 TSPO (0.36) TSPONPY5RPTGER4PDE5AABCG2
SCHEMBL23308281 0.94 PDE5A (0.35) PDE5AMEN1ALDH1A1MAPTHPGD
SCHEMBL23308227 0.94 TSPO (0.39) TSPONPY5RPTGER4PDE5A
SCHEMBL23308318 0.93 METAP2 (0.33) TSPOPDE5AEGLN1MEN1ALDH1A1
SCHEMBL23308310 0.93 ABCG2 (0.32) TSPOPDE5AMEN1ALDH1A1MAPT
SCHEMBL23308259 0.93 PDE5A (0.35) PDE5AMEN1ALDH1A1MAPTHPGD
SCHEMBL16749792 0.92 TSPO (0.37) TSPONPY5RPTGER4PDE5ARAC2
SCHEMBL23308280 0.90 ABCG2 (0.33) PDE5AMEN1ALDH1A1MAPTHPGD
SCHEMBL23308230 0.90 PDE5A (0.33) PDE5AMEN1ALDH1A1MAPTHPGD
SCHEMBL23308213 0.89 ABCG2 (0.31) TSPOPDE5AABCG2CRHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210126204-A1 COMPOUND FOR ORGANIC OPTOELECTRONIC DEVICE, COMPOSITION FOR ORGANIC OPTOELECTRONIC DEVICE, ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE SAMSUNG SDI CO., LTD. (KR) 2021-04-29 US disclosed