SCHEMBL23246152

SCHEMBL23246152

Cc1cc([N+](=O)[O-])ccc1N1CC(C)N(C(=O)OC(C)(C)C)C(C)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
MAPT P10636 5/20 0.48
LMNA P02545 4/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 4/20 0.42
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
RECQL P46063 2/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRA6 Q16445 1/20 0.40
ADAM10 O14672 1/20 0.40

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
SCHEMBL23246109 1.00 ALDH1A1 (0.48) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL29147709 1.00 ALDH1A1 (0.48) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL29533077 1.00 ALDH1A1 (0.48) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL993912 0.88 RECQL (0.54) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL14852226 0.88 MAPT (0.59) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL15244433 0.87 MAPT (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL994049 0.87 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL994048 0.87 ALDH1A1 (0.46) ALDH1A1MAPTLMNAMEN1KMT2A
SCHEMBL26983311 0.83 HTT (0.48) ALDH1A1MAPTLMNAHTTSMN1; SMN2
SCHEMBL6073501 0.82 MAPT (0.64) ALDH1A1MAPTLMNAMEN1KMT2A

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-114502559-B Dihydroimidazoles and pyrimido pyrimidinone compounds 上海瑛派药业有限公司 2024-02-02 CN disclosed
WO-2021073491-A1 DIHYDROIMIDAZO PYRIMIDO PYRIMIDINONE COMPOUND 上海瑛派药业有限公司 2021-04-22 WO disclosed