SCHEMBL6572332

SCHEMBL6572332

Nc1ccc(N)c(-c2ccc(N(CCO)CCO)cc2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
CYP3A4 P08684 2/20 0.36
RECQL P46063 2/20 0.36
PSMD14 O00487 1/20 0.36
GFER P55789 1/20 0.36
KMT2A Q03164 4/20 0.34
MAPT P10636 4/20 0.34
MEN1 O00255 3/20 0.34
LMNA P02545 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
USP8 P40818 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.32
S100B P04271 1/20 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
SCHEMBL6571892 0.90 MAPT (0.37) TDP1ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL6572913 0.88 KMT2A (0.38) TDP1ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL6570742 0.84 PTGDR2 (0.35) ALDH1A1KMT2AMAPTMEN1LMNA
SCHEMBL7089720 0.84 ALDH1A1 (0.42) TDP1ALDH1A1TSHRMAPK1L3MBTL1
Ammonia Solution, Strong SCHEMBL27629622 0.83 ALDH1A1 (0.41) TDP1ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL6572291 0.82 KMT2A (0.36) TDP1ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL6574636 0.82 KMT2A (0.42) TDP1ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL6572200 0.82 USP7 (0.40) TDP1ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL6571794 0.81 PDE10A (0.36) TDP1ALDH1A1TSHRMAPK1L3MBTL1
SCHEMBL6570998 0.81 MAPT (0.38) TDP1ALDH1A1TSHRKMT2AMAPT

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 5 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
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
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