SCHEMBL6570864

SCHEMBL6570864

Nc1ccc(N(CCO)CCO)c(-c2cccc(C=O)c2)c1.Nc1ccc(N(CCO)CCO)c(-c2cccc(O)c2)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.34
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CA7 P43166 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA14 Q9ULX7 1/20 0.33
KDM1A O60341 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
ALDH3A1 P30838 3/20 0.32
ALDH1A3 P47895 2/20 0.32
MEN1 O00255 1/20 0.32
PABPC1 P11940 1/20 0.32
KMT2A Q03164 1/20 0.32
SRC P12931 3/20 0.32

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
SCHEMBL6570947 0.94 TRIM24 (0.37) TRIM24TRIM33CA12CA1CA2
SCHEMBL6572182 0.89 PIK3CG (0.41) PIK3CGCA12CA1CA2CA9
SCHEMBL6572307 0.81 ALDH3A1 (0.38) ALDH1A1ALDH3A1ALDH1A3MEN1PABPC1
SCHEMBL6574565 0.80 MAPT (0.40) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL6571906 0.79 ALDH3A1 (0.36) TRIM24TRIM33CA12CA1CA2
SCHEMBL6572545 0.77 ABL1 (0.36) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL6571486 0.76 USP7 (0.40) CA12CA9ALDH1A1CA14MEN1
Hydrochloric Acid SCHEMBL6572997 0.76 PTGDR2 (0.43) ALDH1A1TDP1MEN1PABPC1KMT2A
SCHEMBL6570856 0.75 ALDH1A1 (0.38) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL6572172 0.75 STK4 (0.45) ALDH1A1MEN1PABPC1KMT2ASTK3

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
EP-1051143-B1 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AG (DE) 2004-07-21 EP disclosed