SCHEMBL6572942

SCHEMBL6572942

Nc1ccc(NCCO)cc1-c1ccc(O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
USP7 Q93009 4/20 0.40
ALDH1A1 P00352 2/20 0.39
RECQL P46063 2/20 0.39
CYP3A4 P08684 2/20 0.39
ALOX15 P16050 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
THRB P10828 1/20 0.39
HIF1A Q16665 1/20 0.39
ESR2 Q92731 1/20 0.39
GAA P10253 2/20 0.35
MAPT P10636 2/20 0.35
BLM P54132 2/20 0.35
TAAR1 Q96RJ0 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GFER P55789 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
SCHEMBL6574702 0.89 ABL1 (0.36) APPALDH1A1RECQLCYP3A4ALOX15
SCHEMBL6572467 0.89 ALDH1A1 (0.37) APPALDH1A1RECQLCYP3A4ALOX15
SCHEMBL6572728 0.89 FCGR3B (0.38) APPALDH1A1CYP3A4TDP1MAPT
SCHEMBL6572249 0.86 MAPT (0.44) ALDH1A1CYP3A4TDP1GAAMAPT
SCHEMBL6572071 0.86 NPC1 (0.39) ALDH1A1GAAMAPTMEN1KMT2A
SCHEMBL6572585 0.85 ALDH1A1 (0.42) ALDH1A1RECQLGAABLMMEN1
SCHEMBL6570876 0.85 SRC (0.39) CYP3A4TAAR1
SCHEMBL6573049 0.85 JAK2 (0.33) ALDH1A1BLMMEN1KMT2AABL1
SCHEMBL6572457 0.84 ALOX5 (0.36) ALDH1A1RECQLCYP3A4ALOX15TDP1
SCHEMBL6571323 0.84 ALDH1A1 (0.35) ALDH1A1GAAMAPTBLMMEN1

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 3 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