SCHEMBL6574436

SCHEMBL6574436

Nc1ccc(N(CCO)CCO)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 4/20 0.40
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HDAC2 Q92769 1/20 0.36
SLC9A5 Q14940 1/20 0.36
MAP4K4 O95819 1/20 0.36
MAOB P27338 1/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
APP P05067 1/20 0.34
MAPT P10636 1/20 0.34
AR P10275 1/20 0.34
BACE1 P56817 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL6570991 0.86 MEN1 (0.42) KIF11MAOBKMT2AMEN1ATM
SCHEMBL6571892 0.84 MAPT (0.37) KMT2AMEN1MAPTLMNATP53
SCHEMBL6572966 0.83 ALOX5AP (0.37) KIF11HDAC2MAOBKMT2ABACE1
SCHEMBL6574636 0.83 KMT2A (0.42) HDAC2SLC9A5MAP4K4KMT2AMEN1
SCHEMBL6572200 0.83 USP7 (0.40) KMT2AMEN1MAPTLMNATP53
SCHEMBL6571049 0.82 KMT2A (0.35) KMT2AMEN1MAPTLMNATP53
SCHEMBL6572518 0.82 MAPT (0.38) KMT2AMEN1APPMAPTLMNA
SCHEMBL6571525 0.82 KMT2A (0.50) MAP4K4KMT2AMEN1MAPTBACE1
SCHEMBL6573029 0.82 HRH3 (0.38) HDAC2KMT2AMEN1APPMAPT
SCHEMBL6572316 0.82 S100B (0.40) SLC9A5KMT2AMEN1MAPTBACE1

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