SCHEMBL3914534

SCHEMBL3914534

NC(=O)COc1cc(N)cc(N)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
BLM P54132 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
HPGD P15428 1/20 0.39
PDK2 Q15119 2/20 0.38
TBXAS1 P24557 1/20 0.37
ACACA Q13085 1/20 0.37
MAPK1 P28482 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL3924075 0.83 ALOX15 (0.54) ALDH1A1MAPTMEN1KMT2AHPGD
SCHEMBL19520606 0.81 HPGD (0.53) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL655613 0.80 CYP3A4 (0.56) ALDH1A1KDM4EPDK2TP53
SCHEMBL13806484 0.79 MEN1 (0.43) ALDH1A1MEN1KMT2APOLBBLM
SCHEMBL3999558 0.78 TDP1 (0.51) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL8065762 0.78 LMNA (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E
SCHEMBL1818582 0.77 LMNA (0.50) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL1815388 0.77 ALDH1A1 (0.45) ALDH1A1MAPTPOLBKDM4EPDK2
SCHEMBL10506137 0.77 MEN1 (0.58) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL8999717 0.74 LMNA (0.47) ALDH1A1MAPTMEN1KMT2AKDM4E

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-2032524-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-03-11 EP disclosed
WO-2007118818-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-10-25 WO disclosed
WO-2007118818-A1 COUPLING COMPOUNDS AND HAIR DYEING COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2007-10-25 WO disclosed
EP-1847526-A1 Coupling compounds and hair dyeing compositions containg them DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2007-10-24 EP disclosed
EP-1847526-A1 Coupling compounds and hair dyeing compositions containg them DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2007-10-24 EP disclosed