SCHEMBL6571368

SCHEMBL6571368

COc1cccc(-c2cc(NCC(O)CO)ccc2N)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
KCNA5 P22460 1/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
HSD17B10 Q99714 1/20 0.40
AOC3 Q16853 1/20 0.40
SRC P12931 1/20 0.39
C5AR1 P21730 1/20 0.39
TDO2 P48775 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HDAC2 Q92769 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
PGGT1B P53609 1/20 0.38
FAAH O00519 1/20 0.38
FYN P06241 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL6571874 0.88 MAPT (0.45) MAPK1TSHRKCNA5KCNH2ALDH1A1
SCHEMBL6570839 0.84 FNTA (0.39) MAPK1ALDH1A1MAPTKDM4EFNTA
SCHEMBL6572503 0.84 FNTA (0.42) MAPK1ALDH1A1MAPTHSD17B10FNTA
SCHEMBL6573135 0.83 FNTA (0.38) MAPK1TSHRSRCFNTAFNTB
SCHEMBL6573720 0.83 MEN1 (0.46) MAPK1TSHRALDH1A1MAPTLMNA
SCHEMBL6571380 0.81 AGTR1 (0.39) MAPK1TSHRALDH1A1MAPTLMNA
SCHEMBL6572994 0.79 TSHR (0.44) MAPK1TSHRKCNA5KCNH2ALDH1A1
SCHEMBL6572113 0.79 MAPT (0.36) MAPK1ALDH1A1MAPTFNTAFNTB
SCHEMBL6572016 0.79 AGTR1 (0.42) MAPK1ALDH1A1MAPTLMNAMEN1
SCHEMBL6571846 0.79 CYP1A2 (0.32) MAPK1FNTAFNTBPGGT1B

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