SCHEMBL6571892

SCHEMBL6571892

Nc1ccc(-c2cc(N(CCO)CCO)ccc2N)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
TP53 P04637 3/20 0.36
LMNA P02545 2/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 5/20 0.36
ALDH1A1 P00352 5/20 0.36
CYP3A4 P08684 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 3/20 0.36
TSHR P16473 2/20 0.36
PSMD14 O00487 1/20 0.36
RECQL P46063 1/20 0.36
GFER P55789 1/20 0.36
S100B P04271 1/20 0.35
HTT P42858 2/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL6572332 0.90 TDP1 (0.36) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL6572291 0.89 KMT2A (0.36) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL6574636 0.89 KMT2A (0.42) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL6572200 0.89 USP7 (0.40) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL6572913 0.88 KMT2A (0.38) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL6572518 0.87 MAPT (0.38) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL6571049 0.87 KMT2A (0.35) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL6573029 0.87 HRH3 (0.38) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL6571525 0.87 KMT2A (0.50) MAPTKMT2AMEN1SMN1; SMN2TP53
SCHEMBL6572316 0.87 S100B (0.40) MAPTKMT2AMEN1SMN1; SMN2TP53

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