SCHEMBL6168823

SCHEMBL6168823

CNc1ccc(N(C=O)c2ccccn2)o1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 3/20 0.33
ALDH1A1 P00352 6/20 0.32
KDM4E B2RXH2 2/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
KMT2A Q03164 3/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 2/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
BLM P54132 1/20 0.32
MCL1 Q07820 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
LIPE Q05469 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL6210539 0.82 SMN1; SMN2 (0.32) POLBALDH1A1KDM4EHTTNPSR1
SCHEMBL6170989 0.80 TOP2A (0.30)
SCHEMBL6170890 0.79 HTT (0.33) CYP2D6CYP2C19POLBALDH1A1KDM4E
SCHEMBL2861141 0.76 CYP2D6 (0.42) CYP2D6CYP2C19POLBALDH1A1KDM4E
SCHEMBL6167566 0.73 SMN1; SMN2 (0.42) CYP2D6CYP2C19POLBALDH1A1KDM4E
SCHEMBL9183270 0.71 ALDH1A1 (0.44) CYP2D6CYP2C19POLBALDH1A1KDM4E
SCHEMBL114270 0.66 CYP2D6 (0.48) CYP2D6CYP2C19POLBALDH1A1KDM4E
SCHEMBL2702055 0.65 ALDH1A1 (0.43) CYP2D6CYP2C19POLBALDH1A1KDM4E
SCHEMBL890760 0.65 NOS3 (0.35) CYP2D6CYP2C19POLBALDH1A1KDM4E
SCHEMBL8802907 0.64 CYP2D6 (0.33) CYP2D6CYP2C19POLBALDH1A1KDM4E

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