SCHEMBL6573305

SCHEMBL6573305

COCCN(CCOC)c1ccc(N)cc1-c1ccccc1C(=O)N(C(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPK1 P28482 2/20 0.34
HPGD P15428 3/20 0.34
KDM4E B2RXH2 2/20 0.34
HSD17B10 Q99714 1/20 0.34
BCL2L1 Q07817 4/20 0.34
TSHR P16473 4/20 0.34
ALDH1A1 P00352 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ALOX5 P09917 1/20 0.34
PTPRC P08575 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
APAF1 O14727 1/20 0.33
TDP2 O95551 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
SCHEMBL6574372 0.88 MEN1 (0.43) MEN1KMT2AMAPK1HPGDTSHR
SCHEMBL7688679 0.86 KEAP1 (0.40) MEN1KMT2AMAPK1HPGDKDM4E
SCHEMBL6575280 0.85 MAPK1 (0.49) MEN1KMT2AMAPK1TSHRALDH1A1
SCHEMBL6570913 0.84 MAPT (0.35) MAPK1KDM4EBCL2L1ALDH1A1NPC1
SCHEMBL6573626 0.80 F2 (0.35) MEN1KMT2AMAPK1HPGDTSHR
SCHEMBL6573015 0.78 CRHR1 (0.36) MEN1KMT2AMAPK1KDM4EHSD17B10
SCHEMBL6571969 0.76 CRHR1 (0.42) MEN1KMT2AMAPK1HPGDKDM4E
SCHEMBL6571205 0.76 CRHR1 (0.35) MEN1KMT2AMAPK1TSHRALDH1A1
SCHEMBL6573046 0.75 HTR7 (0.44) MAPK1HSD17B10TSHRALDH1A1CYP3A4
SCHEMBL6570965 0.75 PLA2G7 (0.50) MEN1KMT2AALDH1A1NPC1RAB9A

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