SCHEMBL6572087

SCHEMBL6572087

COc1cccc(-c2cc(N)ccc2N(CCO)CCO)c1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
PABPC1 P11940 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
USP2 O75604 1/20 0.34
BCL2L1 Q07817 2/20 0.33
ALDH1A1 P00352 2/20 0.33
LCK P06239 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
POLB P06746 1/20 0.32
LTB4R Q15722 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
SCHEMBL6570913 0.91 MAPT (0.35) GAAMAPTBCL2L1ALDH1A1LCK
SCHEMBL6574372 0.81 MEN1 (0.43) MEN1KMT2APABPC1MAPTALDH1A1
SCHEMBL6573003 0.81 NPSR1 (0.37) MEN1KMT2APABPC1MAPTALDH1A1
SCHEMBL6571978 0.81 HTR7 (0.41) MEN1KMT2APABPC1GAAMAPT
SCHEMBL6572269 0.78 NR3C1 (0.39) MEN1KMT2APABPC1GAAMAPT
SCHEMBL6573305 0.74 MEN1 (0.37) MEN1KMT2ABCL2L1ALDH1A1POLB
SCHEMBL6572092 0.74 CA12 (0.33) MEN1KMT2AMAPTBCL2L1ALDH1A1
SCHEMBL6573059 0.72 HDAC4 (0.40) GAAMAPTALDH1A1
SCHEMBL6572405 0.72 HDAC4 (0.42) MEN1KMT2AMAPTALDH1A1
SCHEMBL14831731 0.71 MAPT (0.47) GAAMAPTUSP2ALDH1A1

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