SCHEMBL6571901

SCHEMBL6571901

Cc1ccc(-c2cc(N(CCO)CCO)ccc2N)c(C=O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.36
S100B P04271 1/20 0.33
MAPT P10636 3/20 0.33
TDP1 Q9NUW8 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
PKM P14618 1/20 0.33
MCL1 Q07820 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
MMP14 P50281 1/20 0.33
RAB9A P51151 1/20 0.33
ALDH1A1 P00352 5/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6571019 0.85 ALDH1A1 (0.36) SRCS100BSMN1; SMN2L3MBTL1GAA
SCHEMBL6574718 0.84 ERN1 (0.42) MAPTL3MBTL1MEN1KMT2ALMNA
SCHEMBL6572933 0.83 KMT2A (0.37) MAPTTDP1SMN1; SMN2L3MBTL1GAA
SCHEMBL7454738 0.80 ALDH1A1 (0.32) MAPTTDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL7461712 0.79 ALDH1A1 (0.32) MAPTTDP1SMN1; SMN2L3MBTL1MEN1
SCHEMBL6572316 0.78 S100B (0.40) S100BMAPTTDP1SMN1; SMN2L3MBTL1
SCHEMBL6571072 0.78 SRC (0.36) SRCMAPTMEN1KMT2AHTT
SCHEMBL6570789 0.77 ALDH1A1 (0.43) L3MBTL1ALDH1A1ERN1
SCHEMBL7812255 0.75 ALDH1A1 (0.31) MAPTTDP1MEN1KMT2AALDH1A1
SCHEMBL7812302 0.75 ALDH1A1 (0.31) MAPTTDP1MEN1KMT2AALDH1A1

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