SCHEMBL6167566

SCHEMBL6167566

O=CN(c1ccccn1)c1ccc(N2CCCC2)o1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 5/20 0.34
KMT2A Q03164 5/20 0.34
CNR2 P34972 1/20 0.34
ALDH1A1 P00352 9/20 0.33
MAPT P10636 7/20 0.33
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 5/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
PKM P14618 1/20 0.32
KLF5 Q13887 1/20 0.32
KDM4E B2RXH2 1/20 0.31
RECQL P46063 1/20 0.31
CYP1A2 P05177 4/20 0.31
CYP2C9 P11712 4/20 0.31
CYP2C19 P33261 4/20 0.31
CYP3A4 P08684 2/20 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
SCHEMBL6169230 0.82 POLB (0.47) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL6168118 0.76 POLB (0.41) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL6170890 0.75 HTT (0.33) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL6169495 0.74 POLB (0.42) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL6167761 0.74 POLB (0.42) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL6168823 0.73 CYP2D6 (0.33) POLBMEN1KMT2AALDH1A1MAPT
SCHEMBL2861141 0.72 CYP2D6 (0.42) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL6168779 0.69 SMN1; SMN2 (0.51) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL6210539 0.68 SMN1; SMN2 (0.32) SMN1; SMN2POLBMEN1KMT2AALDH1A1
SCHEMBL9183270 0.67 ALDH1A1 (0.44) SMN1; SMN2POLBMEN1KMT2AALDH1A1

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