SCHEMBL6573393

SCHEMBL6573393

COc1cccc(OC)c1-c1cc(N)ccc1NCC(O)CO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 1/20 0.39
AR P10275 2/20 0.38
VDR P11473 2/20 0.38
NR3C1 P04150 1/20 0.37
CD274 Q9NZQ7 3/20 0.36
PDCD1 Q15116 1/20 0.36
SLC2A1 P11166 1/20 0.35
P2RX3 P56373 1/20 0.35
P2RX2 Q9UBL9 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
LCK P06239 1/20 0.34

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
SCHEMBL6570673 0.88 AGTR1 (0.42) AGTR1LMNACYP1A2MEN1MAPT
SCHEMBL6571444 0.83 AR (0.34) LMNAARVDR
SCHEMBL6570862 0.82 LMNA (0.35) LMNAMAPTTDP1ARVDR
SCHEMBL6573275 0.82 AR (0.33) LMNAARVDR
SCHEMBL6571037 0.82 TSHR (0.40) MEN1MAPTKMT2ANR3C1TSHR
SCHEMBL6571130 0.81 TSHR (0.38) MAPTARVDRTSHRMAPK1
SCHEMBL6573875 0.81 ADRA1A (0.39) LMNACYP1A2MEN1MAPTKMT2A
SCHEMBL6572048 0.81 AR (0.36) PPARGARVDRP2RX3P2RX2
SCHEMBL7686147 0.81 RPS6KA2 (0.40) CYP1A2TSHRMAPK1
SCHEMBL6572994 0.81 TSHR (0.44) LMNAMAPTTSHRMAPK1

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