SCHEMBL6570903

SCHEMBL6570903

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

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TDP1 Q9NUW8 3/20 0.50
ALDH1A1 P00352 2/20 0.50
AKT1 P31749 11/20 0.35
USP8 P40818 1/20 0.32
PRSS1 P07477 3/20 0.31
PSMD14 O00487 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31
RECQL P46063 1/20 0.31
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 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
SCHEMBL6572463 0.87 ALDH1A1 (0.46) TSHRTDP1ALDH1A1AKT1MAPK1
SCHEMBL6571957 0.85 PRSS1 (0.38) TSHRTDP1ALDH1A1PRSS1CYP3A4
SCHEMBL6571904 0.84 ALDH1A1 (0.42) TSHRTDP1ALDH1A1CYP3A4MAPK1
SCHEMBL6572523 0.83 ALDH1A1 (0.35) TSHRTDP1ALDH1A1
SCHEMBL6571342 0.81 USP7 (0.40) TSHRTDP1ALDH1A1PRSS1CYP3A4
SCHEMBL6571430 0.81 PRSS1 (0.37) TSHRTDP1ALDH1A1PRSS1RECQL
SCHEMBL6573032 0.80 ALDH1A1 (0.38) TSHRTDP1ALDH1A1PRSS1MAPK1
SCHEMBL6570671 0.80 CYP1A2 (0.43) TSHRTDP1ALDH1A1PRSS1MAPK1
SCHEMBL6572117 0.80 FCGR3B (0.36) TSHRTDP1AKT1PRSS1KMT2A
SCHEMBL6571157 0.80 TDO2 (0.38) TSHRTDP1ALDH1A1AKT1PRSS1

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