SCHEMBL6570673

SCHEMBL6570673

COc1ccccc1-c1cc(N)ccc1NCC(O)CO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PPARG P37231 1/20 0.41
SLC2A1 P11166 1/20 0.38
CD274 Q9NZQ7 3/20 0.37
P2RX3 P56373 1/20 0.37
P2RX2 Q9UBL9 1/20 0.37
HTR7 P34969 1/20 0.36
INSR P06213 1/20 0.36
NPM1 P06748 1/20 0.36
ALK Q9UM73 1/20 0.36
PDCD1 Q15116 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6573393 0.88 AGTR1 (0.39) AGTR1LMNACYP1A2MAPTMEN1
SCHEMBL7686147 0.86 RPS6KA2 (0.40) CYP1A2ALDH1A1MAPK1
SCHEMBL6573875 0.86 ADRA1A (0.39) LMNACYP1A2MAPTMEN1KMT2A
SCHEMBL6571001 0.84 LMNA (0.41) LMNACYP1A2MAPTMEN1KMT2A
SCHEMBL6572048 0.83 AR (0.36) PPARGP2RX3P2RX2
SCHEMBL6570912 0.83 ALDH1A1 (0.36) LMNAMEN1KMT2ATDP1PPARG
SCHEMBL6572908 0.82 NPC1 (0.35) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL6573754 0.82 KDM4E (0.40) MAPTMEN1KMT2AHTR7ALDH1A1
SCHEMBL6574529 0.81 PLA2G7 (0.46) LMNAMAPTMEN1KMT2ATDP1
SCHEMBL6574137 0.81 ALOX5AP (0.36) LMNACYP1A2MAPTMEN1KMT2A

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