SCHEMBL6572200

SCHEMBL6572200

Nc1ccc(N(CCO)CCO)cc1-c1ccc(O)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 3/20 0.40
ESR2 Q92731 2/20 0.39
KMT2A Q03164 3/20 0.36
MAPT P10636 3/20 0.36
MEN1 O00255 2/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
S100B P04271 1/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MCL1 Q07820 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL6572800 0.89 ABL1 (0.36) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6574429 0.89 KMT2A (0.37) USP7KMT2AMAPTMEN1LMNA
SCHEMBL6571892 0.89 MAPT (0.37) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6574636 0.87 KMT2A (0.42) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6573029 0.86 HRH3 (0.38) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6571049 0.86 KMT2A (0.35) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6571525 0.86 KMT2A (0.50) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572518 0.86 MAPT (0.38) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572316 0.86 S100B (0.40) KMT2AMAPTMEN1LMNASMN1; SMN2
SCHEMBL6572320 0.86 KMT2A (0.35) KMT2AMAPTMEN1LMNASMN1; SMN2

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