SCHEMBL6571383

SCHEMBL6571383

COCCNc1ccc(N)c(-c2ccc(N)cc2O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.39
ALDH1A1 P00352 3/20 0.37
MAPT P10636 1/20 0.37
GAA P10253 1/20 0.37
KCNH3 Q9ULD8 2/20 0.35
KLKB1 P03952 1/20 0.34
RPS6KA2 Q15349 1/20 0.34
TSHR P16473 2/20 0.33
NCF1 P14598 1/20 0.33
CASP1 P29466 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2C19 P33261 2/20 0.32
KDM4E B2RXH2 1/20 0.32
CYP3A4 P08684 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
USP2 O75604 1/20 0.32
APEX1 P27695 1/20 0.32
CASP7 P55210 1/20 0.32

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
SCHEMBL6571994 0.91 PTGER4 (0.39) PTGER4ALDH1A1MAPTGAAKCNH3
SCHEMBL6574643 0.90 PTGER4 (0.40) PTGER4ALDH1A1MAPTGAAKCNH3
SCHEMBL6570977 0.89 PTGER4 (0.39) PTGER4ALDH1A1MAPTGAAKCNH3
SCHEMBL6571382 0.89 PTGER4 (0.38) PTGER4ALDH1A1MAPTGAAKCNH3
SCHEMBL6572283 0.86 PTGER4 (0.39) PTGER4ALDH1A1MAPTKCNH3TSHR
SCHEMBL6573643 0.85 PTGER4 (0.42) PTGER4ALDH1A1MAPTKCNH3NCF1
SCHEMBL6573143 0.83 FCGR3B (0.36) ALDH1A1MAPTGAAKLKB1TSHR
SCHEMBL6570857 0.82 PTGER4 (0.39) PTGER4ALDH1A1MAPTKCNH3TSHR
SCHEMBL6573372 0.80 MALT1 (0.42) PTGER4ALDH1A1MAPTKCNH3TSHR
SCHEMBL6570957 0.80 PTGER4 (0.40) PTGER4ALDH1A1MAPTKCNH3NCF1

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