SCHEMBL30697332

SCHEMBL30697332

O=C(O)CCNc1ccc(F)cc1[N+](=O)[O-]

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 5/20 0.52
MAPT P10636 5/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.50
KCNMA1 Q12791 1/20 0.49
KMT2A Q03164 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
SIRT5 Q9NXA8 2/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
PKM P14618 1/20 0.47
PRSS1 P07477 1/20 0.46
BCL6 P41182 1/20 0.46
BCOR Q6W2J9 1/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL4695415 1.00 HCAR3 (0.52) HCAR3MAPTALDH1A1HPGDHTT
SCHEMBL622263 0.85 ALDH1A1 (0.64) HCAR3MAPTALDH1A1HTTKCNMA1
SCHEMBL7349997 0.84 MAPT (0.62) HCAR3MAPTALDH1A1HPGDKMT2A
SCHEMBL5017636 0.84 ALDH1A1 (0.66) HCAR3MAPTALDH1A1HTTKCNMA1
SCHEMBL9034789 0.83 ALDH1A1 (0.63) HCAR3MAPTALDH1A1HPGDHTT
SCHEMBL27077338 0.83 HCAR3 (0.75) HCAR3MAPTALDH1A1KMT2APKM
SCHEMBL15206115 0.83 APEX1 (0.61) HCAR3MAPTALDH1A1HPGDKMT2A
SCHEMBL8612145 0.82 MAPT (0.63) MAPTALDH1A1HTTKMT2APKM
SCHEMBL4060611 0.82 MAPT (0.58) HCAR3MAPTALDH1A1HTTKCNMA1
SCHEMBL8336041 0.81 ALDH1A1 (0.56) HCAR3MAPTALDH1A1HTTTDP1

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-117247358-A Benzodiazepine compound with HDAC6 inhibition activity and preparation method and application thereof 上海医药工业研究院有限公司 2023-12-19 CN disclosed