SCHEMBL29232892

SCHEMBL29232892

COC(=O)c1nnc(C(=O)O)c2c1c1cc([N+](=O)[O-])ccc1n2C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 6/20 0.52
▸ F2 P00734 3/20 0.52
▸ PLAU P00749 3/20 0.52
▸ CTRB1 P17538 3/20 0.52
▸ KLKB1 P03952 1/20 0.52
▸ MAPT P10636 5/20 0.45
▸ EGFR P00533 1/20 0.43
▸ SRC P12931 1/20 0.43
▸ F2RL3 Q96RI0 4/20 0.43
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ F2R P25116 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ PKM P14618 1/20 0.40
▸ L3MBTL1 Q9Y468 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
SCHEMBL29232890 0.96 ELANE (0.52) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29233021 0.92 MAPT (0.49) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29232906 0.86 ELANE (0.49) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29232915 0.83 TP53 (0.39) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29232905 0.82 ELANE (0.49) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29232911 0.78 TP53 (0.39) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29232881 0.77 MAPT (0.52) ELANEF2PLAUCTRB1KLKB1
SCHEMBL29233022 0.76 MAPT (0.50) ELANEF2PLAUCTRB1KLKB1
SCHEMBL4026837 0.76 MAPT (0.45) ELANEF2PLAUCTRB1KLKB1
SCHEMBL4030576 0.74 ALDH1A1 (0.47) MAPTEGFRSRCF2RL3MEN1

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-118206560-A Lipoic acid derivative containing pyridazino indole structure, and preparation method and application thereof 浙江中医药大学 2024-06-18 — — CN disclosed
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