SCHEMBL6573015

SCHEMBL6573015

COCCN(CCOC)c1ccc(N)cc1-c1ccccc1O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 3/20 0.36
PDE10A Q9Y233 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
MAPT P10636 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
APP P05067 1/20 0.32
POLB P06746 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
CASP1 P29466 1/20 0.32
SNCA P37840 1/20 0.32
CASP7 P55210 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL6571815 0.90 GAA (0.36) CRHR1PDE10AALDH1A1GAANPC1
SCHEMBL6570996 0.86 CRHR1 (0.34) CRHR1PDE10AALDH1A1GAANPC1
SCHEMBL6571969 0.85 CRHR1 (0.42) CRHR1SMN1; SMN2ALDH1A1GAANPC1
SCHEMBL6570965 0.84 PLA2G7 (0.50) CRHR1SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL6574564 0.84 CRHR1 (0.36) CRHR1SMN1; SMN2ALDH1A1GAANPC1
SCHEMBL6573046 0.84 HTR7 (0.44) CRHR1ALDH1A1GAAMAPTHSD17B10
SCHEMBL6572419 0.83 MEN1 (0.40) PDE10ASMN1; SMN2ALDH1A1GAANPC1
SCHEMBL6575280 0.82 MAPK1 (0.49) ALDH1A1GAARAB9AMEN1KMT2A
SCHEMBL6571205 0.82 CRHR1 (0.35) CRHR1SMN1; SMN2ALDH1A1GAANPC1
SCHEMBL6574203 0.81 CRHR1 (0.34) CRHR1SMN1; SMN2ALDH1A1GAANPC1

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