SCHEMBL6573339

SCHEMBL6573339

CN(CCO)c1ccc(N)c(-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.43
MAP4K4 O95819 2/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SLC9A5 Q14940 1/20 0.38
PSMB5 P28074 2/20 0.36
CYBB P04839 3/20 0.36
NOX4 Q9NPH5 3/20 0.36
NTSR1 P30989 1/20 0.36
CHEK1 O14757 1/20 0.35
KDM4E B2RXH2 1/20 0.35
STK4 Q13043 1/20 0.34
STK3 Q13188 1/20 0.34
LRRK2 Q5S007 1/20 0.34
HTR7 P34969 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL2339811 0.84 ALDH1A1 (0.42) L3MBTL1ADORA2AADORA1ALDH1A1HSD17B10
SCHEMBL6571445 0.84 KMT2A (0.43) L3MBTL1ALDH1A1HSD17B10KDM4ETSHR
SCHEMBL7467331 0.81 MAP4K4 (0.34) L3MBTL1MAP4K4ADORA2AADORA1ALDH1A1
SCHEMBL7461069 0.81 MAP4K4 (0.34) L3MBTL1MAP4K4ADORA2AADORA1STK4
SCHEMBL7456317 0.81 KCNH2 (0.40) L3MBTL1MAP4K4ALDH1A1HSD17B10CHEK1
SCHEMBL7462735 0.81 MAP4K4 (0.34) L3MBTL1MAP4K4ADORA2AADORA1CYBB
SCHEMBL2774989 0.80 PSMB5 (0.49) L3MBTL1ALDH1A1HSD17B10PSMB5CHEK1
SCHEMBL7812056 0.79 CFTR (0.39) L3MBTL1MAP4K4ADORA2AADORA1ALDH1A1
SCHEMBL7800920 0.79 MAP4K4 (0.34) L3MBTL1MAP4K4ADORA2AADORA1CYBB
SCHEMBL7805999 0.79 TDP1 (0.43) L3MBTL1MAP4K4ALDH1A1HSD17B10KDM4E

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