SCHEMBL3478159

SCHEMBL3478159

CC1=CC(=Nc2ccc(NCC[N+]([O-])(CCO)CCO)cc2)C(NCCO)=CC1=O

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ PABPC1 P11940 1/20 0.30

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
SCHEMBL13022278 1.00 TP53 (0.31) TP53CYP3A4MAPTCASP1BLM
SCHEMBL13020957 1.00 TP53 (0.31) TP53CYP3A4MAPTCASP1BLM
SCHEMBL13020972 0.94 CYP1A2 (0.31) —
SCHEMBL13021556 0.93 TP53 (0.30) TP53CYP3A4MAPTCASP1BLM
SCHEMBL13808755 0.84 CYP1A2 (0.32) TP53CYP3A4MAPTCASP1BLM
SCHEMBL12997219 0.84 TP53 (0.32) TP53CYP3A4MAPTCASP1BLM
SCHEMBL12997452 0.83 S100A4 (0.35) TP53CYP3A4MAPTCASP1BLM
SCHEMBL12997465 0.83 KCNH2 (0.34) TP53CYP3A4MAPTCASP1BLM
SCHEMBL13808735 0.82 MALT1 (0.41) TP53CYP3A4MAPTCASP1BLM
SCHEMBL4010569 0.80 TP53 (0.36) TP53CYP3A4MAPTCASP1BLM

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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