SCHEMBL6574773

SCHEMBL6574773

CNc1ccc(N)cc1-c1ccc(OC)c(OC)c1OC

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.40
CYP19A1 P11511 3/20 0.40
MAPK1 P28482 2/20 0.40
HTT P42858 2/20 0.40
GAA P10253 2/20 0.40
TSHR P16473 1/20 0.40
HDAC4 P56524 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
KDM4E B2RXH2 4/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
USP2 O75604 1/20 0.38
NQO2 P16083 1/20 0.36
NR4A1 P22736 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
SCHEMBL6570803 0.82 PTGER4 (0.41) MAPTCYP19A1MAPK1HTTGAA
SCHEMBL6574341 0.82 HDAC4 (0.38) MAPTCYP19A1MAPK1HTTGAA
SCHEMBL6571014 0.81 CYP19A1 (0.44) MAPTCYP19A1MAPK1HTTGAA
SCHEMBL6571210 0.79 ALDH1A1 (0.45) MAPTCYP19A1MAPK1HTTGAA
SCHEMBL6572330 0.78 HTR7 (0.45) MAPTMAPK1HTTGAATSHR
SCHEMBL6572048 0.77 AR (0.36) HDAC4HDAC2HDAC8
SCHEMBL6572605 0.75 APP (0.43) MAPTCYP19A1MAPK1HTTGAA
SCHEMBL11344842 0.75 MAPT (0.52) MAPTCYP19A1MAPK1HTTGAA
SCHEMBL7105484 0.75 MAPT (0.57) MAPTCYP19A1MAPK1HTTGAA
SCHEMBL2093095 0.74 APP (0.42) MAPTCYP19A1TSHRKDM4EALDH1A1

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