SCHEMBL6571978

SCHEMBL6571978

COc1ccccc1-c1cc(N)ccc1N(CCO)CCO

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 10/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
USP2 O75604 1/20 0.38
HTR1A P08908 5/20 0.38
HTR2B P41595 5/20 0.38
HTR1D P28221 4/20 0.38
HTR1B P28222 4/20 0.38
HTR2A P28223 4/20 0.38
HTR5A P47898 4/20 0.38
HTR1E P28566 3/20 0.38
HTR6 P50406 2/20 0.38
HSD17B10 Q99714 1/20 0.37
PABPC1 P11940 1/20 0.37
HTR2C P28335 2/20 0.36
HTR3A P46098 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL6572269 0.86 NR3C1 (0.39) HTR7GAAMAPTMEN1KMT2A
SCHEMBL6573046 0.86 HTR7 (0.44) HTR7GAAMAPTHTR1AHTR2B
SCHEMBL6572405 0.84 HDAC4 (0.42) MAPTMEN1KMT2AHTR2A
SCHEMBL6571296 0.83 GAA (0.40) GAAMAPTMEN1KMT2AUSP2
SCHEMBL6570737 0.83 MEN1 (0.47) GAAMAPTMEN1KMT2AHTT
SCHEMBL6570701 0.82 PLA2G7 (0.43) HTR7GAAMAPTMEN1KMT2A
SCHEMBL6573059 0.82 HDAC4 (0.40) GAAMAPTHSD17B10TSHRMAPK1
SCHEMBL14831731 0.81 MAPT (0.47) GAAMAPTUSP2TSHRMAPK1
SCHEMBL6572087 0.81 MEN1 (0.37) GAAMAPTMEN1KMT2AUSP2
SCHEMBL6571940 0.80 ALDH1A1 (0.42) TSHR

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