SCHEMBL6572389

SCHEMBL6572389

COc1ccc(-c2cc(NCCO)ccc2N)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.49
MAPT P10636 4/20 0.49
ALDH1A1 P00352 7/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
APAF1 O14727 1/20 0.47
TDP2 O95551 1/20 0.47
THRB P10828 1/20 0.47
MAPK1 P28482 1/20 0.47
CASP6 P55212 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
APP P05067 1/20 0.43
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
RAB9A P51151 1/20 0.42
HSD17B10 Q99714 1/20 0.42
LMNA P02545 1/20 0.42
ACR P10323 1/20 0.40
GBA1 P04062 1/20 0.39

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
SCHEMBL6572041 0.87 GAA (0.47) GAAMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL6573720 0.87 MEN1 (0.46) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL6572622 0.84 ALDH1A1 (0.42) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL6572249 0.84 MAPT (0.44) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL6572728 0.83 FCGR3B (0.38) MAPTALDH1A1MEN1KMT2ACASP6
SCHEMBL6572942 0.82 APP (0.41) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL6571874 0.81 MAPT (0.45) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL6572071 0.81 NPC1 (0.39) GAAMAPTALDH1A1KDM4EMEN1
SCHEMBL6572585 0.80 ALDH1A1 (0.42) GAAALDH1A1KDM4EMEN1KMT2A
SCHEMBL6572471 0.80 NR4A1 (0.44) GAAMAPTALDH1A1KDM4EMEN1

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 3 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