SCHEMBL7544859

SCHEMBL7544859

c1ccc(CCOc2cc3ccccc3nc2OCCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
HTT P42858 3/20 0.50
STAT3 P40763 2/20 0.50
HRH4 Q9H3N8 2/20 0.48
TLR8 Q9NR97 6/20 0.47
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
MPO P05164 1/20 0.41
CDK1 P06493 1/20 0.41
CCNB1 P14635 1/20 0.41

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
SCHEMBL28293113 0.79 TSHR (0.59) SMN1; SMN2HTTSTAT3TLR8MAPT
SCHEMBL27324326 0.77 MEN1 (0.59) SMN1; SMN2HTTSTAT3HRH4CNR1
SCHEMBL28310888 0.73 TLR8 (0.68) SMN1; SMN2HTTSTAT3HRH4TLR8
SCHEMBL6629949 0.72 KDM4E (0.51) SMN1; SMN2HTTSTAT3POLBKDM4E
SCHEMBL17912813 0.71 CYP11B1 (0.56) SMN1; SMN2MAPTLMNACYP11B1CYP11B2
SCHEMBL16453464 0.71 NCF1 (0.49) SMN1; SMN2HTTKDM4E
SCHEMBL6566120 0.71 HTT (0.59) SMN1; SMN2HTTSTAT3CNR1CNR2
SCHEMBL8981682 0.68 KMT2A (0.69) CNR1CNR2KDM4EALDH1A1KMT2A
SCHEMBL7506608 0.68 CYP11B1 (0.47) HTTCNR1CNR2LMNACYP11B1
SCHEMBL8548739 0.68 RAB9A (0.69) SMN1; SMN2HTTHRH4LMNAPOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0326331-B1 Substituted quinolines and cinnolines DOW AGROSCIENCES LLC (US) 2002-04-17 EP disclosed