SCHEMBL6572041

SCHEMBL6572041

COCCNc1ccc(N)c(-c2ccc(OC)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.47
MAPT P10636 5/20 0.47
ALDH1A1 P00352 4/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
RECQL P46063 1/20 0.44
KCNH3 Q9ULD8 1/20 0.43
APP P05067 1/20 0.43
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX15 P16050 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
PPARG P37231 1/20 0.40
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NR4A1 P22736 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL6570857 0.89 PTGER4 (0.39) MAPTALDH1A1LMNAKDM4EKCNH3
SCHEMBL6572389 0.87 GAA (0.49) GAAMAPTALDH1A1LMNAKDM4E
SCHEMBL6571575 0.87 ALDH1A1 (0.41) GAAMAPTALDH1A1LMNAKDM4E
SCHEMBL6572277 0.86 KDM4E (0.40) GAAMAPTALDH1A1KDM4EHTT
SCHEMBL6572982 0.86 PTGER4 (0.40) GAAMAPTALDH1A1KDM4EHTT
SCHEMBL6571144 0.86 ADRB2 (0.44) GAAMAPTALDH1A1LMNAKDM4E
SCHEMBL6570805 0.85 CYP1A2 (0.46) MAPTALDH1A1LMNAKCNH3TP53
SCHEMBL6572149 0.84 KIF11 (0.40) ALDH1A1KDM4EALOX15TDP1HSD17B10
SCHEMBL6571410 0.84 ALDH1A1 (0.46) MAPTALDH1A1LMNAKDM4EHTT
SCHEMBL6573249 0.83 PTGER4 (0.39) GAAMAPTALDH1A1LMNAKDM4E

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