SCHEMBL6570665

SCHEMBL6570665

Nc1ccc(N(CCO)CCO)cc1-c1ccccc1O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.40
MEN1 O00255 6/20 0.40
MAPT P10636 4/20 0.40
BRD4 O60885 1/20 0.38
NR1I2 O75469 1/20 0.38
SMARCA2 P51531 1/20 0.38
SMARCA4 P51532 1/20 0.38
PBRM1 Q86U86 1/20 0.38
MCL1 Q07820 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
BCL2L1 Q07817 1/20 0.35
SMN1; SMN2 Q16637 5/20 0.34
LMNA P02545 3/20 0.34
PABPC1 P11940 2/20 0.34
TP53 P04637 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
SCHEMBL6570961 0.89 ALDH1A1 (0.43) KMT2AMEN1MAPTBRD4NR1I2
SCHEMBL6572145 0.85 TSHR (0.37) KMT2AMEN1MAPTMCL1GAA
SCHEMBL6572909 0.85 MAPT (0.40) KMT2AMEN1MAPTMCL1GAA
SCHEMBL6572717 0.85 ALOX5 (0.36) KMT2AMEN1MAPTMCL1GAA
SCHEMBL6571794 0.84 PDE10A (0.36) KMT2AMEN1MAPTMCL1GAA
SCHEMBL6572082 0.84 MAPT (0.45) KMT2AMEN1MAPTMCL1GAA
SCHEMBL6574296 0.84 MAPT (0.52) KMT2AMEN1MAPTMCL1GAA
SCHEMBL6571124 0.83 F2 (0.36) BRD4NR1I2SMARCA2SMARCA4PBRM1
SCHEMBL6571445 0.83 KMT2A (0.43) KMT2AMEN1MAPTBRD4NR1I2
SCHEMBL6574429 0.83 KMT2A (0.37) KMT2AMEN1MAPTMCL1GAA

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