SCHEMBL6573074

SCHEMBL6573074

Cc1ccccc1-c1cc(NCCO)ccc1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
MAPT P10636 5/20 0.42
GAA P10253 4/20 0.42
KDM4E B2RXH2 3/20 0.42
MAPK1 P28482 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
APAF1 O14727 2/20 0.42
TDP2 O95551 2/20 0.42
LMNA P02545 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
GPBAR1 Q8TDU6 1/20 0.41
PLA2G7 Q13093 3/20 0.40
CASP6 P55212 3/20 0.39
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
POLB P06746 1/20 0.39
MMP14 P50281 1/20 0.39

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
SCHEMBL6571844 0.88 ALDH1A1 (0.43) ALDH1A1MAPTGAAKDM4EMAPK1
SCHEMBL6572432 0.84 BRD4 (0.38) ALDH1A1MAPTGAAKDM4EMAPK1
SCHEMBL6572807 0.83 CYP1A2 (0.49) ALDH1A1MAPTKDM4EMAPK1CYP1A2
SCHEMBL6573246 0.82 GAA (0.43) ALDH1A1MAPTGAAKDM4EMAPK1
SCHEMBL6572585 0.81 ALDH1A1 (0.42) ALDH1A1GAAKDM4EMAPK1L3MBTL1
SCHEMBL6571366 0.81 MAPT (0.38) ALDH1A1MAPTKDM4ELMNAPLA2G7
SCHEMBL6570757 0.80 FCGR3B (0.39) ALDH1A1MAPTGAAKDM4EMAPK1
SCHEMBL6342530 0.79 ALDH1A1 (0.54) ALDH1A1MAPTGAAKDM4EMAPK1
SCHEMBL6572249 0.79 MAPT (0.44) ALDH1A1MAPTGAAKDM4EMAPK1
SCHEMBL6572467 0.78 ALDH1A1 (0.37) ALDH1A1MAPTGAAKDM4ECASP6

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