SCHEMBL6571965

SCHEMBL6571965

CN(C)c1ccccc1-c1cc(N)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.48
NEK2 P51955 1/20 0.48
LIMK1 P53667 1/20 0.48
DYRK1A Q13627 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
ALDH1A1 P00352 6/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
CYP3A4 P08684 3/20 0.41
TP53 P04637 2/20 0.41
TSHR P16473 1/20 0.41
LMNA P02545 3/20 0.40
KMT2A Q03164 3/20 0.40
PTPRC P08575 2/20 0.40
NSD2 O96028 2/20 0.40
HPGD P15428 2/20 0.40
MEN1 O00255 2/20 0.40

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
SCHEMBL8107888 0.87 CHEK1 (0.38) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3790652 0.85 ALDH1A1 (0.48) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3792075 0.82 ALDH1A1 (0.59) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3786502 0.81 ALDH1A1 (0.48) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL14746715 0.79 PLA2G7 (0.49) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3791883 0.78 MAOA (0.50) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL10956325 0.78 ALDH1A1 (0.44) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL5133404 0.78 ALDH1A1 (0.65) DYRK1AALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL2919461 0.77 MAPT (0.52) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3786195 0.76 PGR (0.43) CHEK1NEK2LIMK1DYRK1ACLK4

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