SCHEMBL3476002

SCHEMBL3476002

O=C1C=C(Nc2ccc(NCC[N+]([O-])(CCO)CCO)cc2)C(=O)C=C1NCCO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.42
▸ MAPT P10636 7/20 0.36
▸ BLM P54132 5/20 0.36
▸ SMN1; SMN2 Q16637 4/20 0.36
▸ TP53 P04637 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CASP1 P29466 1/20 0.36
▸ CASP7 P55210 1/20 0.36
▸ APAF1 O14727 6/20 0.33
▸ CASP3 P42574 5/20 0.33
▸ SENP8 Q96LD8 5/20 0.33
▸ SENP7 Q9BQF6 5/20 0.33
▸ SENP6 Q9GZR1 5/20 0.33
▸ L3MBTL1 Q9Y468 5/20 0.33
▸ KDM4E B2RXH2 4/20 0.33
▸ TDP2 O95551 4/20 0.33
▸ MAPK1 P28482 4/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ LMNA P02545 3/20 0.33
▸ GAA P10253 2/20 0.33

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
SCHEMBL13020971 0.93 DNM1 (0.40) DNM1MAPTBLMSMN1; SMN2TP53
SCHEMBL13021555 0.90 DNM1 (0.40) DNM1MAPTBLMSMN1; SMN2TP53
SCHEMBL13020942 0.79 DNM1 (0.35) DNM1
SCHEMBL12997204 0.79 DNM1 (0.44) DNM1MAPTBLMSMN1; SMN2TP53
SCHEMBL13020943 0.79 DNM1 (0.32) DNM1CA12CA1CA2CA9
SCHEMBL12997449 0.78 DNM1 (0.43) DNM1MAPTBLMSMN1; SMN2TP53
SCHEMBL15022768 0.78 DNM1 (0.71) DNM1MAPTBLMSMN1; SMN2TP53
SCHEMBL12997462 0.77 DNM1 (0.42) DNM1MAPTBLMSMN1; SMN2TP53
SCHEMBL15022915 0.76 DNM1 (0.50) DNM1MAPTBLMSMN1; SMN2TP53
SCHEMBL3478159 0.76 TP53 (0.31) MAPTBLMSMN1; SMN2TP53CYP3A4

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
WO-2010142776-A1 N-OXIDIZED AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM SECONDARY, N-ALKYLAMINATED PARA-PHENYLENEDIAMINES, METHOD OF HAIR DYEING USING THESE DYES L'OREAL (FR) 2010-12-16 — — WO disclosed
WO-2010142776-A1 N-OXIDIZED AZOMETHINE DIRECT DYES OR REDUCED PRECURSORS OF THESE DYES OBTAINED FROM SECONDARY, N-ALKYLAMINATED PARA-PHENYLENEDIAMINES, METHOD OF HAIR DYEING USING THESE DYES L'OREAL (FR) 2010-12-16 — — WO disclosed
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