SCHEMBL8107888

SCHEMBL8107888

CN(C)c1ccccc1-c1cc(N)ccc1N.Nc1ccc(N)c(-c2ccccc2CBr)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.38
NEK2 P51955 1/20 0.38
LIMK1 P53667 1/20 0.38
DYRK1A Q13627 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
NPC1 O15118 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PLA2G7 Q13093 1/20 0.32
PTPRC P08575 2/20 0.32
MEN1 O00255 1/20 0.32
APAF1 O14727 1/20 0.32
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32

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
SCHEMBL6571965 0.87 CHEK1 (0.48) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL6574447 0.87 ALDH1A1 (0.41) DYRK1ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL8107883 0.75 MAPK1 (0.36) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL6570988 0.74 ALDH1A1 (0.46) DYRK1ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3790652 0.74 ALDH1A1 (0.48) CHEK1NEK2LIMK1DYRK1ACLK4
Hydrochloric Acid SCHEMBL6571889 0.72 ALDH1A1 (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL27735945 0.72 DPP4 (0.50) NPC1ALDH1A1RAB9ASMN1; SMN2TP53
SCHEMBL3792075 0.71 ALDH1A1 (0.59) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL3786502 0.71 ALDH1A1 (0.48) CHEK1NEK2LIMK1DYRK1ACLK4
SCHEMBL1201130 0.70 LIPG (0.45) ALDH1A1TP53CYP3A4TSHRTDP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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