SCHEMBL6570871

SCHEMBL6570871

Cc1ccc(N)c(C)c1-c1cc(N)ccc1NCC(O)CO

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.36
VDR P11473 2/20 0.36
MAPT P10636 2/20 0.35
MAPK1 P28482 2/20 0.35
GAA P10253 1/20 0.35
CASP1 P29466 2/20 0.33
LMNA P02545 2/20 0.33
SIGMAR1 Q99720 1/20 0.32
TSHR P16473 1/20 0.32
PDE10A Q9Y233 1/20 0.32
HTT P42858 1/20 0.32
ADRB2 P07550 1/20 0.31
ADRB1 P08588 1/20 0.31
ADRB3 P13945 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL6573303 0.85 POLB (0.44) ARVDRMAPTMAPK1GAA
SCHEMBL6570818 0.84 AR (0.33) ARVDR
SCHEMBL6571444 0.83 AR (0.34) ARVDRLMNA
SCHEMBL6570756 0.81 CASP1 (0.37) MAPTGAACASP1SIGMAR1TSHR
SCHEMBL6573016 0.81 AR (0.34) ARVDRMAPTMAPK1GAA
SCHEMBL3863528 0.81 VDR (0.47) ARVDRMAPTMAPK1LMNA
SCHEMBL6571001 0.81 LMNA (0.41) ARVDRMAPTMAPK1GAA
SCHEMBL6571431 0.80 AR (0.36) ARVDRMAPTGAACASP1
SCHEMBL6572349 0.80 AR (0.33) ARVDRMAPTMAPK1GAA
SCHEMBL6570862 0.80 LMNA (0.35) ARVDRMAPTMAPK1LMNA

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