SCHEMBL6570947

SCHEMBL6570947

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.37
TRIM33 Q9UPN9 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
ALDH3A1 P30838 3/20 0.35
ALDH1A3 P47895 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 1/20 0.35
PABPC1 P11940 1/20 0.35
KMT2A Q03164 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
AXL P30530 1/20 0.32
UNG P13051 1/20 0.32
NAT1 P18440 2/20 0.32
BRD4 O60885 1/20 0.32
DYRK1A Q13627 2/20 0.30
DYRK2 Q92630 2/20 0.30
DYRK1B Q9Y463 2/20 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
SCHEMBL6570864 0.94 PIK3CG (0.34) TRIM24TRIM33CA12CA1CA2
SCHEMBL6572307 0.87 ALDH3A1 (0.38) ALDH3A1ALDH1A3ALDH1A1MEN1PABPC1
SCHEMBL6574565 0.85 MAPT (0.40) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL6571906 0.84 ALDH3A1 (0.36) TRIM24TRIM33CA12CA1CA2
SCHEMBL6572182 0.81 PIK3CG (0.41) CA12CA1CA2CA9ALDH1A1
Hydrochloric Acid SCHEMBL6572997 0.81 PTGDR2 (0.43) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL6570856 0.80 ALDH1A1 (0.38) ALDH1A1MEN1PABPC1KMT2APTGDR2
SCHEMBL6572058 0.80 TAAR1 (0.45) MEN1PABPC1KMT2APTGDR2
SCHEMBL6572172 0.80 STK4 (0.45) ALDH1A1MEN1PABPC1KMT2A
SCHEMBL6572491 0.80 MAPT (0.37) ALDH1A1MEN1PABPC1KMT2APTGDR2

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 4 patents. 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 claimed
US-6500213-B1 Oxidizing hair coloring agents containing 2,5-diamino-1-phenylbenzene derivatives and novel 2,5-diamino-1-phenylbenzene derivatives WELLA AKTIENGESELLSCHAFT (DE) 2002-12-31 US disclosed
EP-1051143-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES Wella Aktiengesellschaft (DE) 2000-11-15 EP disclosed
WO-1999059527-A2 OXIDIZING HAIR COLORING AGENTS CONTAINING 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES AND NOVEL 2,5-DIAMINO-1-PHENYLBENZENE DERIVATIVES WELLA AKTIENGESELLSCHAFT (DE) 1999-11-25 WO disclosed