SCHEMBL6574203

SCHEMBL6574203

COCCN(CCOC)c1ccc(N)cc1-c1ccccc1C=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.34
GAA P10253 2/20 0.34
MAPT P10636 1/20 0.34
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTPRC P08575 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32

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
SCHEMBL6572659 0.85 CRHR1 (0.33) CRHR1ALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL6572193 0.84 ERN1 (0.39) CRHR1GAAMAPTALDH1A1NPC1
SCHEMBL6572640 0.84 ALDH1A1 (0.40) GAAMAPTALDH1A1NPC1RAB9A
SCHEMBL6571026 0.83 MEN1 (0.40) MAPTALDH1A1SMN1; SMN2HPGDHTT
SCHEMBL6571969 0.82 CRHR1 (0.42) CRHR1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL6574564 0.81 CRHR1 (0.36) CRHR1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL6573046 0.81 HTR7 (0.44) CRHR1GAAMAPTALDH1A1HTT
SCHEMBL6570965 0.81 PLA2G7 (0.50) CRHR1MAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL6573015 0.81 CRHR1 (0.36) CRHR1GAAMAPTALDH1A1SMN1; SMN2
SCHEMBL6575280 0.79 MAPK1 (0.49) GAAALDH1A1HTTRAB9ACYP3A4

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