SCHEMBL6573754

SCHEMBL6573754

COc1ccccc1-c1cc(N)ccc1NCCO

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.40
GLA P06280 1/20 0.40
GBA1 P04062 2/20 0.40
MEN1 O00255 2/20 0.40
GAA P10253 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR7 P34969 3/20 0.40
ALDH1A1 P00352 4/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
HSD17B10 Q99714 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL6571037 0.86 TSHR (0.40) KDM4EGLAGBA1MEN1GAA
SCHEMBL6572270 0.86 ALDH1A1 (0.50) KDM4EHTR7ALDH1A1MAPTMAPK1
SCHEMBL6572745 0.84 RAD52 (0.41) GBA1MEN1KMT2AALDH1A1MAPT
SCHEMBL7684990 0.84 GBA1 (0.45) GBA1GAAKMT2AALDH1A1MAPK1
SCHEMBL6574341 0.83 HDAC4 (0.38) KDM4EGAAMAPTMAPK1L3MBTL1
SCHEMBL6570673 0.82 AGTR1 (0.42) MEN1KMT2AHTR7ALDH1A1MAPT
SCHEMBL6572757 0.82 PLA2G7 (0.43) KDM4EGLAGAAALDH1A1MAPT
SCHEMBL6574155 0.81 ALDH1A1 (0.41) KDM4EGLAMEN1KMT2AALDH1A1
SCHEMBL9499966 0.81 GAA (0.47) KDM4EGLAGBA1GAAALDH1A1
SCHEMBL6572743 0.80 TOP2B (0.39) KDM4EGLAMEN1GAAKMT2A

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