SCHEMBL6170890

SCHEMBL6170890

Nc1ccc(N(C=O)c2ccccn2)o1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALDH1A1 P00352 4/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
MCL1 Q07820 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
PI4KA P42356 1/20 0.32
PI4K2B Q8TCG2 1/20 0.32
PI4K2A Q9BTU6 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
SCHEMBL6168823 0.79 CYP2D6 (0.33) HTTNPSR1ALDH1A1KMT2AKDM4E
SCHEMBL6168559 0.79 KDM4E (0.31) ALDH1A1KDM4EMAPTTDP1L3MBTL1
SCHEMBL2861141 0.78 CYP2D6 (0.42) HTTNPSR1ALDH1A1KMT2AKDM4E
SCHEMBL6167566 0.75 SMN1; SMN2 (0.42) HTTNPSR1ALDH1A1KMT2AKDM4E
SCHEMBL6210539 0.73 SMN1; SMN2 (0.32) HTTNPSR1ALDH1A1KMT2AKDM4E
SCHEMBL9183270 0.73 ALDH1A1 (0.44) HTTNPSR1ALDH1A1KMT2AKDM4E
SCHEMBL890760 0.73 NOS3 (0.35) HTTNPSR1ALDH1A1KMT2AKDM4E
SCHEMBL28205435 0.68 CYP2D6 (0.40) HTTNPSR1ALDH1A1KMT2AKDM4E
SCHEMBL2702055 0.67 ALDH1A1 (0.43) HTTNPSR1ALDH1A1KMT2AKDM4E
SCHEMBL8802907 0.66 CYP2D6 (0.33) HTTNPSR1ALDH1A1KMT2AKDM4E

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-1498109-A1 Furan derivatives and dyeing composition comprising a furan derivative as coupler L'OREAL (FR) 2005-01-19 EP claimed
EP-1498109-A1 Furan derivatives and dyeing composition comprising a furan derivative as coupler L'OREAL (FR) 2005-01-19 EP disclosed