SCHEMBL6573036

SCHEMBL6573036

Nc1cc(-c2ccc(Br)cc2)c(N)c(CCO)c1CCO

nearest known ligand 0.31

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPC1 O15118 2/20 0.31
CYP1A2 P05177 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
APP P05067 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
GSK3B P49841 1/20 0.31
ALDH1A1 P00352 2/20 0.31
USP2 O75604 1/20 0.31
PRKCZ Q05513 1/20 0.31
MAPK1 P28482 2/20 0.30

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
SCHEMBL6574401 0.85 USP7 (0.42)
SCHEMBL6571990 0.81 PRKCZ (0.33) MAPTMEN1KMT2ANPC1CYP1A2
SCHEMBL6572300 0.79
SCHEMBL6571862 0.77 GAA (0.42) MAPTMEN1KMT2ANPC1KDM4E
SCHEMBL8071425 0.73
SCHEMBL7686229 0.72 SLC6A2 (0.30)
SCHEMBL7451350 0.72 KDM4E (0.32) MAPTMEN1KMT2ACYP1A2KDM4E
SCHEMBL6570707 0.71 HTR7 (0.36) ALDH1A1HTT
SCHEMBL6574425 0.70 TSHR (0.39) CYP1A2KDM4ERAB9ASMN1; SMN2ALDH1A1
SCHEMBL8104171 0.70 MEN1 (0.40) MAPTMEN1KMT2AKDM4ERECQL

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