SCHEMBL6573246

SCHEMBL6573246

COc1ccccc1-c1cc(NCCO)ccc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
APAF1 O14727 2/20 0.42
TDP2 O95551 2/20 0.42
MAPT P10636 2/20 0.42
MAPK1 P28482 2/20 0.42
THRB P10828 1/20 0.42
CASP6 P55212 1/20 0.42
HTR7 P34969 5/20 0.40
FFAR1 O14842 1/20 0.38
HSD17B10 Q99714 3/20 0.38
GBA1 P04062 2/20 0.38
ADRA2B P18089 1/20 0.38
PTGS1 P23219 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTR1A P08908 2/20 0.37

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
SCHEMBL6570699 0.86 ALDH1A1 (0.50) ALDH1A1KDM4EMAPK1HTR7HSD17B10
SCHEMBL6571000 0.86 NR3C1 (0.41) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6572622 0.84 ALDH1A1 (0.42) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6571844 0.84 ALDH1A1 (0.43) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL8107397 0.83 NR3C1 (0.37) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6572016 0.82 AGTR1 (0.42) MEN1KMT2AALDH1A1MAPTMAPK1
SCHEMBL6573074 0.82 ALDH1A1 (0.42) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6570847 0.82 ALDH1A1 (0.39) GAAALDH1A1KDM4EL3MBTL1MAPT
SCHEMBL4534380 0.81 ALDH1A1 (0.47) GAAMEN1KMT2AALDH1A1KDM4E
SCHEMBL6572432 0.80 BRD4 (0.38) GAAMEN1KMT2AALDH1A1KDM4E

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 4 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
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