SCHEMBL29089282

SCHEMBL29089282

Cc1ccc(-c2cccc(-n3c4ccccc4c4ccccc43)c2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
FLT3 P36888 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ATM Q13315 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MCL1 Q07820 1/20 0.35
BAD Q92934 1/20 0.35
COMT P21964 1/20 0.35

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
SCHEMBL22199053 0.90 PDCD1 (0.47) MAPTALDH1A1L3MBTL1PDCD1CD274
SCHEMBL24174132 0.88 MAPT (0.45) MAPTLMNAHTTALDH1A1BCHE
SCHEMBL19269131 0.86 ALDH1A1 (0.36) MAPTLMNAHTTALDH1A1L3MBTL1
SCHEMBL31549508 0.86 ALDH1A1 (0.46) MAPTLMNAHTTALDH1A1BCHE
SCHEMBL19766159 0.86 ALDH1A1 (0.46) MAPTLMNAHTTALDH1A1BCHE
SCHEMBL19269274 0.84 L3MBTL1 (0.41) MAPTLMNAALDH1A1L3MBTL1PDCD1
SCHEMBL19269413 0.84 L3MBTL1 (0.41) MAPTLMNAALDH1A1L3MBTL1PDCD1
SCHEMBL22327516 0.83 ALDH1A1 (0.43) MAPTLMNAHTTALDH1A1L3MBTL1
SCHEMBL24848726 0.83 PDCD1 (0.44) ALDH1A1L3MBTL1PDCD1CD274KDM4E
SCHEMBL25456818 0.82 MAPT (0.38) MAPTLMNAHTTALDH1A1BCHE

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
CN-116724685-A Organic electroluminescent device and organic compound for organic electroluminescent device 株式会社乐普拓 2023-09-08 CN disclosed