SCHEMBL6572446

SCHEMBL6572446

COCCNc1ccc(N)cc1-c1cc(OC)ccc1OC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.40
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
THRB P10828 1/20 0.39
ADRA1A P35348 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
GABRG2 P18507 5/20 0.38
GABRB3 P28472 5/20 0.38
GABRA2 P47869 5/20 0.38
GABRA1 P14867 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
RPS6KA2 Q15349 1/20 0.38
CYP19A1 P11511 1/20 0.37
NCF1 P14598 1/20 0.37
DHFR P00374 1/20 0.37
NPSR1 Q6W5P4 1/20 0.36
HDAC4 P56524 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
SCHEMBL6572745 0.87 RAD52 (0.41) MAPTKMT2AMEN1ALDH1A1THRB
SCHEMBL6572270 0.84 ALDH1A1 (0.50) PTGER4MAPTALDH1A1NCF1
SCHEMBL6570803 0.83 PTGER4 (0.41) PTGER4MAPTALDH1A1CYP19A1NCF1
SCHEMBL6572731 0.83 PTGER4 (0.46) PTGER4MAPTKMT2AALDH1A1RPS6KA2
SCHEMBL6571210 0.81 ALDH1A1 (0.45) MAPTKMT2AMEN1ALDH1A1THRB
SCHEMBL6571509 0.80 CYP3A4 (0.46) PTGER4MAPTALDH1A1NCF1
SCHEMBL6574666 0.79 PTGER4 (0.50) PTGER4MAPTKMT2AMEN1ALDH1A1
SCHEMBL6571104 0.79 PTGER4 (0.42) PTGER4MAPTALDH1A1ADRA1ANCF1
SCHEMBL9499986 0.79 PTGER4 (0.49) PTGER4MAPTALDH1A1NCF1
SCHEMBL6573875 0.78 ADRA1A (0.39) MAPTKMT2AMEN1ALDH1A1THRB

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