SCHEMBL29227283

SCHEMBL29227283

COC(=O)c1cc2c([nH]c3ccc(N)cc32)c(C)n1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.71
KDM4E B2RXH2 4/20 0.71
LMNA P02545 3/20 0.71
ALDH1A1 P00352 3/20 0.71
HPGD P15428 3/20 0.71
HSD17B10 Q99714 3/20 0.71
TP53 P04637 1/20 0.71
MAPK1 P28482 1/20 0.71
GABRA1 P14867 4/20 0.51
GABRG2 P18507 4/20 0.51
GABRB3 P28472 4/20 0.51
GABRA5 P31644 4/20 0.51
GABRA3 P34903 4/20 0.51
GABRP O00591 3/20 0.51
GABRD O14764 3/20 0.51
GABRB1 P18505 3/20 0.51
GABRA2 P47869 3/20 0.51
GABRB2 P47870 3/20 0.51
GABRA4 P48169 3/20 0.51
GABRE P78334 3/20 0.51

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
SCHEMBL27782973 0.85 MAPT (0.51) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL28073839 0.85 MAPT (0.71) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL29817530 0.83 MAPT (1.00) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL27893270 0.83 MAPT (1.00) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL10859305 0.78 GABRA1 (0.74) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL11120399 0.73 MAPT (0.57) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL13684477 0.72 ALDH1A1 (0.57) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL2216825 0.71 MAPT (0.77) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL29817732 0.70 MAPT (0.76) MAPTKDM4ELMNAALDH1A1HPGD
SCHEMBL29424976 0.70 MAPT (0.71) MAPTKDM4ELMNAALDH1A1HPGD

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
CN-117936807-A Preparation method and application of alkaline fuel cell catalyst layer containing high water-retaining property and high ion conductivity additive 中国科学院山西煤炭化学研究所 2024-04-26 CN claimed
CN-117936807-A Preparation method and application of alkaline fuel cell catalyst layer containing high water-retaining property and high ion conductivity additive 中国科学院山西煤炭化学研究所 2024-04-26 CN disclosed