SCHEMBL6570844

SCHEMBL6570844

COc1ccc(C=O)c(-c2cc(N)ccc2N(CCO)CCO)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 1/20 0.42
TYR P14679 1/20 0.42
TRIM33 Q9UPN9 1/20 0.42
ALDH1A1 P00352 5/20 0.40
ERN1 O75460 3/20 0.39
GAA P10253 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
CTSA P10619 1/20 0.35
CYP19A1 P11511 2/20 0.34
CGAS Q8N884 1/20 0.33
RET P07949 2/20 0.33
SCD O00767 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL6570775 0.91 ERN1 (0.42) TRIM24TYRTRIM33ALDH1A1ERN1
SCHEMBL6572640 0.88 ALDH1A1 (0.40) TRIM24TYRTRIM33ALDH1A1ERN1
SCHEMBL6572405 0.83 HDAC4 (0.42) ALDH1A1KDM4ENPC1RAB9ACYP19A1
SCHEMBL6571026 0.80 MEN1 (0.40) TRIM24TRIM33ALDH1A1NPC1RAB9A
SCHEMBL6571974 0.80 ALDH1A1 (0.42) ALDH1A1GAAKDM4ENPC1RAB9A
SCHEMBL6570789 0.79 ALDH1A1 (0.43) TRIM24TYRTRIM33ALDH1A1ERN1
SCHEMBL6572193 0.79 ERN1 (0.39) TRIM24TYRTRIM33ALDH1A1ERN1
SCHEMBL6571072 0.77 SRC (0.36) ALDH1A1ERN1KDM4ENPC1RAB9A
SCHEMBL6571940 0.77 ALDH1A1 (0.42) TRIM24TRIM33ALDH1A1KDM4ECYP19A1
SCHEMBL7461348 0.77 MEN1 (0.31)

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