SCHEMBL6572818

SCHEMBL6572818

CN(C)c1cccc(-c2cc(N)ccc2N)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FYN P06241 11/20 0.46
ALDH1A1 P00352 3/20 0.41
TP53 P04637 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALOX15 P16050 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOTUM Q6P988 2/20 0.41
TSHR P16473 1/20 0.40
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
GFER P55789 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LRRK2 Q5S007 1/20 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
SCHEMBL3791645 0.86 MAOA (0.42) FYNALDH1A1TP53CYP3A4ALOX15
SCHEMBL3787771 0.82 ALDH1A1 (0.52) FYNALDH1A1TP53NOTUMTSHR
SCHEMBL22345011 0.81 MAOA (0.44) ALDH1A1TP53CYP3A4MAPK1TDP1
SCHEMBL6571103 0.80 ALDH1A1 (0.56) ALDH1A1TP53CYP3A4ALOX15MAPK1
SCHEMBL3780784 0.80 MAOA (0.56) FYNALDH1A1TP53CYP3A4NOTUM
SCHEMBL2478623 0.79 MAOA (0.54) ALDH1A1TP53CYP3A4KDM4ENPC1
SCHEMBL3785712 0.78 ALDH1A1 (0.52) FYNALDH1A1TP53CYP3A4ALOX15
Hydrochloric Acid SCHEMBL6574391 0.77 MAOA (0.52) ALDH1A1TP53CYP3A4KDM4ENPC1
SCHEMBL2774989 0.77 PSMB5 (0.49) FYNALDH1A1TP53CYP3A4ALOX15
SCHEMBL6570791 0.77 RAB9A (0.47) FYNALDH1A1TP53CYP3A4ALOX15

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