SCHEMBL6574458

SCHEMBL6574458

CCOc1ccc(-c2cc(N)ccc2NCC(O)CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 6/20 0.39
ALDH1A1 P00352 3/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 2/20 0.39
RECQL P46063 1/20 0.39
AR P10275 2/20 0.38
VDR P11473 2/20 0.38
FAAH O00519 1/20 0.37
KMT2A Q03164 5/20 0.37
MEN1 O00255 4/20 0.37
NPC1 O15118 2/20 0.37
TP53 P04637 2/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 2/20 0.36
HSP90AA1 P07900 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
SCHEMBL6570661 0.88 RPS6KA2 (0.40) TDP1TSHRMAPTALDH1A1GAA
SCHEMBL6574847 0.86 PDE3B (0.37) ARVDR
SCHEMBL6571431 0.83 AR (0.36) TDP1TSHRMAPTALDH1A1GAA
SCHEMBL6574899 0.82 TDP1 (0.47) TDP1TSHRMAPTALDH1A1GAA
SCHEMBL6573407 0.82 USP7 (0.36) ALDH1A1ARVDRCYP3A4CASP1
SCHEMBL6572042 0.82 PDE3B (0.34) ARVDR
SCHEMBL6571130 0.81 TSHR (0.38) TSHRMAPTGAAARVDR
SCHEMBL6571824 0.81 CYP1A2 (0.34) ARVDR
SCHEMBL6571878 0.81 CYP1A2 (0.38) MAPTALDH1A1MAPK1
SCHEMBL6573194 0.81 SCN9A (0.38) MAPK1

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