SCHEMBL4383968

SCHEMBL4383968

Cc1ccccc1-c1nn(CCO)c(N)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
ADORA2A P29274 1/20 0.37
GAA P10253 2/20 0.37
TLR8 Q9NR97 1/20 0.36
DPP4 P27487 2/20 0.36
NR1I2 O75469 1/20 0.36
AHR P35869 1/20 0.36
ATM Q13315 1/20 0.35
LMNA P02545 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
SLC9A5 Q14940 1/20 0.34
JAK2 O60674 1/20 0.34
PIK3CD O00329 1/20 0.34
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
PIK3CG P48736 1/20 0.33
GABRA1 P14867 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
SCHEMBL1801451 0.78 ESR1 (0.43) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL1800673 0.76 SMN1; SMN2 (0.41) ALDH1A1MAPTKDM4EGAA
SCHEMBL1803361 0.74 RIPK2 (0.44) ALDH1A1TLR8DPP4LMNASLC9A5
SCHEMBL33720 0.70 HTT (0.44) ALDH1A1MAPTKDM4EGAANR1I2
SCHEMBL1799813 0.70 KMT2A (0.58) ALDH1A1MAPTKDM4EHPGDGAA
Hydrochloric Acid SCHEMBL6278290 0.69 HTT (0.42) ALDH1A1MAPTKDM4EGAANR1I2
SCHEMBL15428612 0.68 ADORA2A (0.42) ALDH1A1MAPTKDM4EHPGDADORA2A
SCHEMBL1720030 0.67 POLB (0.66) ALDH1A1MAPTKDM4EHPGDGAA
SCHEMBL20075630 0.67 MEN1 (0.41) ALDH1A1MAPTKDM4EGAA
SCHEMBL15428611 0.66 JAK2 (0.46) ALDH1A1KDM4EDPP4ATMJAK2

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-1345580-B9 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2009-11-25 EP claimed
EP-1345580-B1 COMPOSITION FOR OXIDATION DYEING OF KERATINOUS FIBRES COMPRISING A DIAMINO PYRAZOLE AND A CARBONYL COMPOUND OREAL (FR) 2006-06-07 EP claimed