SCHEMBL11610739

SCHEMBL11610739

COC(=O)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.60
▸ APP P05067 1/20 0.58
▸ KCNMA1 Q12791 3/20 0.55
▸ TRPV1 Q8NER1 1/20 0.55
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ MAPT P10636 5/20 0.51
▸ POLB P06746 3/20 0.51
▸ NCOA1 Q15788 1/20 0.51
▸ NCOA3 Q9Y6Q9 1/20 0.51
▸ MAPK1 P28482 4/20 0.50
▸ L3MBTL1 Q9Y468 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ TDP1 Q9NUW8 2/20 0.48
▸ LMNA P02545 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47

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
SCHEMBL9365284 0.87 PKM (0.59) PKMAPPKCNMA1TRPV1SMN1; SMN2
SCHEMBL13379289 0.84 APP (0.66) PKMAPPKCNMA1TRPV1SMN1; SMN2
SCHEMBL9365281 0.83 APP (0.58) PKMAPPKCNMA1TRPV1SMN1; SMN2
SCHEMBL3308366 0.82 APP (0.64) PKMAPPKCNMA1TRPV1SMN1; SMN2
SCHEMBL3308371 0.82 APP (0.64) PKMAPPKCNMA1TRPV1SMN1; SMN2
SCHEMBL3308373 0.82 APP (0.64) PKMAPPKCNMA1TRPV1SMN1; SMN2
SCHEMBL1503974 0.82 APP (0.60) PKMAPPKCNMA1TRPV1SMN1; SMN2
SCHEMBL10712446 0.82 MAPT (0.64) PKMAPPKCNMA1TRPV1SMN1; SMN2
SCHEMBL6080575 0.82 APP (0.54) PKMAPPKCNMA1TRPV1SMN1; SMN2
SCHEMBL6080567 0.82 APP (0.54) PKMAPPKCNMA1TRPV1SMN1; SMN2

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
US-4099007-A N,N-SUBSTITUTED 2,4,5-TRIKETOIMIDAZOLIDINES AND A PROCESS FOR THEIR PREPARATION HOECHST AKTIENGESELLSCHAFT (DE) 1978-07-04 — — US disclosed
Send feedback