SCHEMBL13021555

SCHEMBL13021555

CC[N+]([O-])(CC)CCNc1ccc(NC2=CC(=O)C(NCCO)=CC2=O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.40
▸ CYP1A2 P05177 1/20 0.38
▸ MAPT P10636 6/20 0.34
▸ APAF1 O14727 4/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MITF O75030 2/20 0.34
▸ TP53 P04637 2/20 0.34
▸ BLM P54132 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ KDM4E B2RXH2 4/20 0.34
▸ TDP2 O95551 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ MAPK1 P28482 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ CASP3 P42574 3/20 0.34
▸ SENP8 Q96LD8 3/20 0.34
▸ SENP7 Q9BQF6 3/20 0.34

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
SCHEMBL3476002 0.90 DNM1 (0.42) DNM1CYP1A2MAPTAPAF1SMN1; SMN2
SCHEMBL13020971 0.83 DNM1 (0.40) DNM1CYP1A2MAPTAPAF1SMN1; SMN2
SCHEMBL12997462 0.80 DNM1 (0.42) DNM1MAPTAPAF1SMN1; SMN2MITF
SCHEMBL10494906 0.79 DNM1 (0.43) DNM1CYP1A2MAPTAPAF1SMN1; SMN2
SCHEMBL13021556 0.78 TP53 (0.30) MAPTSMN1; SMN2TP53BLMCYP3A4
SCHEMBL12997204 0.77 DNM1 (0.44) DNM1MAPTAPAF1SMN1; SMN2MITF
SCHEMBL12997449 0.76 DNM1 (0.43) DNM1CYP1A2MAPTAPAF1SMN1; SMN2
SCHEMBL15022768 0.76 DNM1 (0.71) DNM1MAPTAPAF1SMN1; SMN2MITF
SCHEMBL15022915 0.74 DNM1 (0.50) DNM1CYP1A2MAPTAPAF1SMN1; SMN2
SCHEMBL1435599 0.73 DNM1 (0.45) DNM1MAPTAPAF1SMN1; SMN2MITF

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
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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