SCHEMBL12997449

SCHEMBL12997449

O=C1C=C(Nc2ccc(NCCCN(CCO)CCO)cc2)C(=O)C=C1NCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DNM1 Q05193 1/20 0.43
▸ MAPT P10636 5/20 0.39
▸ MAPK1 P28482 5/20 0.39
▸ LMNA P02545 5/20 0.39
▸ BLM P54132 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ L3MBTL1 Q9Y468 4/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 2/20 0.39
▸ HTT P42858 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ S100A4 P26447 1/20 0.38
▸ TP53 P04637 2/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CASP1 P29466 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
SCHEMBL12997204 0.93 DNM1 (0.44) DNM1MAPTMAPK1LMNABLM
SCHEMBL12997462 0.83 DNM1 (0.42) DNM1MAPTMAPK1LMNABLM
SCHEMBL1435599 0.81 DNM1 (0.45) DNM1MAPTMAPK1LMNABLM
SCHEMBL12997212 0.79 DNM1 (0.36) DNM1MAPTMAPK1LMNABLM
SCHEMBL15022768 0.79 DNM1 (0.71) DNM1MAPTMAPK1LMNABLM
SCHEMBL13020971 0.79 DNM1 (0.40) DNM1MAPTMAPK1LMNABLM
SCHEMBL3476002 0.78 DNM1 (0.42) DNM1MAPTMAPK1LMNABLM
SCHEMBL15022915 0.77 DNM1 (0.50) DNM1MAPTMAPK1LMNABLM
SCHEMBL12997452 0.77 S100A4 (0.35) MAPTMAPK1LMNABLMALDH1A1
SCHEMBL13021555 0.76 DNM1 (0.40) DNM1MAPTMAPK1LMNABLM

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-2010142777-A1 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
Send feedback