SCHEMBL6572145

SCHEMBL6572145

Nc1ccc(-c2cc(N(CCO)CCO)ccc2N)c(O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.37
CASP1 P29466 1/20 0.37
TDP1 Q9NUW8 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 5/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
S100B P04271 1/20 0.33
GAA P10253 2/20 0.32
MAPK1 P28482 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
MCL1 Q07820 1/20 0.32
NPC1 O15118 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
SCHEMBL6572913 0.91 KMT2A (0.38) TSHRCASP1TDP1ALDH1A1MAPT
SCHEMBL6571794 0.90 PDE10A (0.36) TSHRCASP1TDP1ALDH1A1MAPT
SCHEMBL6572225 0.89 KMT2A (0.35) TSHRTDP1ALDH1A1MAPTKMT2A
SCHEMBL6572717 0.88 ALOX5 (0.36) TSHRTDP1ALDH1A1MAPTKMT2A
SCHEMBL6570665 0.85 KMT2A (0.40) TSHRTDP1ALDH1A1MAPTKMT2A
SCHEMBL6572226 0.83 TSHR (0.37) TSHRCASP1TDP1ALDH1A1S100B
SCHEMBL6571892 0.83 MAPT (0.37) TSHRTDP1ALDH1A1MAPTKMT2A
SCHEMBL6574429 0.83 KMT2A (0.37) TSHRTDP1ALDH1A1MAPTKMT2A
SCHEMBL6570961 0.80 ALDH1A1 (0.43) TSHRTDP1ALDH1A1MAPTKMT2A
SCHEMBL6572332 0.80 TDP1 (0.36) TSHRTDP1ALDH1A1MAPTKMT2A

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