SCHEMBL6572082

SCHEMBL6572082

Cc1ccccc1-c1cc(N(CCO)CCO)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
GAA P10253 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
MCL1 Q07820 1/20 0.45
S100B P04271 1/20 0.41
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 3/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
MAPK1 P28482 1/20 0.39
MMP14 P50281 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CTSD P07339 1/20 0.35
BACE1 P56817 1/20 0.35
SLC9A5 Q14940 1/20 0.34

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
SCHEMBL6570961 0.88 ALDH1A1 (0.43) MAPTGAAPKMHTTMCL1
SCHEMBL6572909 0.84 MAPT (0.40) MAPTGAAPKMHTTMCL1
SCHEMBL6570665 0.84 KMT2A (0.40) MAPTGAAPKMHTTMCL1
SCHEMBL6572502 0.83 S100B (0.40) MAPTGAAHTTS100BKMT2A
SCHEMBL6574296 0.82 MAPT (0.52) MAPTGAAPKMHTTMCL1
SCHEMBL6572267 0.82 HTR7 (0.41) MAPTGAAPKMHTTMCL1
SCHEMBL6571445 0.81 KMT2A (0.43) MAPTGAAPKMHTTMCL1
SCHEMBL7451983 0.81 S100B (0.41) MAPTGAAPKMHTTMCL1
SCHEMBL7457549 0.80 S100B (0.40) MAPTGAAPKMHTTMCL1
SCHEMBL6572612 0.80 BACE1 (0.40) MAPTGAAPKMHTTMCL1

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