SCHEMBL6572437

SCHEMBL6572437

Cc1cc(C)c(-c2cc(N(CCO)CCO)ccc2N)c(C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100B P04271 1/20 0.41
MAPT P10636 4/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 3/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
MCL1 Q07820 1/20 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
TP53 P04637 1/20 0.36
ATM Q13315 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL6574093 0.83 CRHR1 (0.47) S100BMAPK1CRHR1
SCHEMBL6572316 0.82 S100B (0.40) S100BMAPTKMT2ALMNAMEN1
SCHEMBL6572082 0.79 MAPT (0.45) S100BMAPTKMT2ALMNAMEN1
SCHEMBL30491146 0.79 S100B (0.65) S100BMAPTKMT2ALMNAMEN1
SCHEMBL33756 0.79 S100B (0.65) S100BMAPTKMT2ALMNAMEN1
SCHEMBL8069938 0.79 S100B (0.36) S100BMAPTKMT2ALMNAMEN1
SCHEMBL7451983 0.78 S100B (0.41) S100BMAPTKMT2ALMNAMEN1
SCHEMBL6574219 0.78 KMT2A (0.38) S100BMAPTKMT2ALMNAMEN1
SCHEMBL7457549 0.77 S100B (0.40) S100BMAPTKMT2ALMNAMEN1
SCHEMBL6571701 0.77 MAPT (0.38) S100BMAPTKMT2ALMNAMEN1

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