SCHEMBL6571990

SCHEMBL6571990

COCCc1c(N)cc(-c2ccc(Br)cc2)c(N)c1CCOC

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCZ Q05513 1/20 0.33
SLC2A1 P11166 1/20 0.33
ACHE P22303 2/20 0.32
MAPT P10636 3/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
RECQL P46063 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL6571021 0.87 BACE1 (0.34) MAPTKDM4EMEN1NPC1RAB9A
SCHEMBL6573036 0.81 MAPT (0.31) PRKCZACHEMAPTL3MBTL1KDM4E
SCHEMBL6575169 0.80
SCHEMBL6574556 0.72 HTR7 (0.41) KDM4ECYP1A2CYP2C19RAB9AALDH1A1
SCHEMBL6574519 0.72 PLA2G7 (0.39) MAPTKDM4ECYP1A2CYP2C19RECQL
SCHEMBL8098435 0.71 MCL1 (0.31) ALDH1A1
SCHEMBL6571862 0.70 GAA (0.42) MAPTL3MBTL1KDM4EMEN1NPC1
SCHEMBL12005742 0.69 ALDH1A1 (0.34) MAPTL3MBTL1KDM4EMEN1KMT2A
SCHEMBL6574401 0.67 USP7 (0.42)
SCHEMBL6571984 0.66 S100B (0.36) PRKCZSLC2A1ACHEMAPTL3MBTL1

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 4 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
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