SCHEMBL10551830

SCHEMBL10551830

CCCCCNc1c([N+](=O)[O-])cnn1CCCCC

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ HCAR3 P49019 2/20 0.41
▸ PKM P14618 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ GAA P10253 1/20 0.39
▸ ADRA2A P08913 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ HRH3 Q9Y5N1 2/20 0.37
▸ CNR1 P21554 2/20 0.36
▸ CNR2 P34972 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ACHE P22303 1/20 0.36

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
SCHEMBL10772470 0.85 ALDH1A1 (0.39) L3MBTL1MAPTALDH1A1TDP1PKM
SCHEMBL10388255 0.79 SMN1; SMN2 (0.38) MAPTPKMPOLBGAASMN1; SMN2
SCHEMBL9284026 0.79 SMN1; SMN2 (0.40) L3MBTL1MAPTALDH1A1TDP1PKM
SCHEMBL10760992 0.78 CNR1 (0.41) PKMPOLBGAASMN1; SMN2CNR1
SCHEMBL10388225 0.77 L3MBTL1 (0.41) L3MBTL1GAASMN1; SMN2CNR1CNR2
SCHEMBL10775005 0.74 SMN1; SMN2 (0.48) MAPTALDH1A1PKMPOLBGAA
SCHEMBL10773058 0.74 PKM (0.39) MAPTALDH1A1PKMGAASMN1; SMN2
SCHEMBL31319668 0.73 MEN1 (0.38) MAPTPKMSMN1; SMN2CNR1CNR2
SCHEMBL10630922 0.72 ADRA2A (0.36) ADRA2ACNR1CNR2
SCHEMBL476964 0.70 CNR1 (0.46) MAPTALDH1A1TDP1PKMGAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224019-A2 1-Aryl-4-nitropyrazole BAYER AG (DE) 1987-06-03 — — EP claimed
US-4810283-A PRE- AND POSTEMERGENCE BAYER AKTIENGESELLSCHAFT (DE) 1989-03-07 — — US disclosed
EP-0224019-A2 1-Aryl-4-nitropyrazole BAYER AG (DE) 1987-06-03 — — EP disclosed
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