SCHEMBL6210539

SCHEMBL6210539

O=CN(c1ccccn1)c1ccc(NCCO)o1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.32
ALDH1A1 P00352 3/20 0.31
MAPK1 P28482 2/20 0.31
TSHR P16473 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
HTT P42858 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
KDM4E B2RXH2 3/20 0.31
THRB P10828 1/20 0.31
RECQL P46063 2/20 0.30
POLB P06746 2/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30

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 0.82 CYP2D6 (0.33) ALDH1A1TSHRHTTNPSR1KDM4E
SCHEMBL6206130 0.77 ADORA2A (0.33)
SCHEMBL6204656 0.76
SCHEMBL6237029 0.75
SCHEMBL6170890 0.73 HTT (0.33) SMN1; SMN2ALDH1A1MAPK1TSHRHTT
SCHEMBL2861141 0.70 CYP2D6 (0.42) SMN1; SMN2ALDH1A1TSHRHDAC3HDAC4
SCHEMBL6167566 0.68 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1TSHRHTTNPSR1
SCHEMBL6207829 0.68
SCHEMBL6206185 0.66 ALDH1A1 (0.33) ALDH1A1POLBMAPT
SCHEMBL9183270 0.66 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1MAPK1TSHRHTT

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