SCHEMBL6572316

SCHEMBL6572316

Cc1ccc(-c2cc(N(CCO)CCO)ccc2N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 5/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.38
PKM P14618 1/20 0.38
HTT P42858 1/20 0.38
MCL1 Q07820 1/20 0.38
POLB P06746 1/20 0.38
MAPK1 P28482 1/20 0.38
MMP14 P50281 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.35
BACE1 P56817 1/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6572518 0.88 MAPT (0.38) S100BKMT2AMEN1NPC1RAB9A
SCHEMBL6571892 0.87 MAPT (0.37) S100BKMT2AMEN1NPC1RAB9A
SCHEMBL6572200 0.86 USP7 (0.40) S100BKMT2AMEN1NPC1RAB9A
SCHEMBL6574636 0.86 KMT2A (0.42) S100BKMT2AMEN1NPC1RAB9A
SCHEMBL6571701 0.85 MAPT (0.38) S100BKMT2AMEN1NPC1RAB9A
SCHEMBL6573029 0.84 HRH3 (0.38) S100BKMT2AMEN1NPC1RAB9A
SCHEMBL6571049 0.84 KMT2A (0.35) S100BKMT2AMEN1NPC1RAB9A
SCHEMBL6571525 0.84 KMT2A (0.50) S100BKMT2AMEN1NPC1RAB9A
SCHEMBL6572320 0.84 KMT2A (0.35) S100BKMT2AMEN1NPC1RAB9A
SCHEMBL6571445 0.84 KMT2A (0.43) S100BKMT2AMEN1NPC1RAB9A

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