SCHEMBL17232846

SCHEMBL17232846

COc1c(C)ccc(/C=C(\C#N)c2cccnc2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ RECQL P46063 1/20 0.56
▸ HIF1A Q16665 1/20 0.56
▸ EGFR P00533 1/20 0.56
▸ PDGFRB P09619 1/20 0.56
▸ PDGFRA P16234 1/20 0.56
▸ KIF20A O95235 5/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ KDM4E B2RXH2 2/20 0.50
▸ POLB P06746 2/20 0.50
▸ CHEK1 O14757 1/20 0.50
▸ MAPT P10636 3/20 0.49
▸ LDLR P01130 1/20 0.45
▸ CYP1A1 P04798 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP1B1 Q16678 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL17232860 0.85 SMN1; SMN2 (0.53) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL17232858 0.83 SMN1; SMN2 (0.62) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL17232856 0.79 SMN1; SMN2 (0.66) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL17232854 0.77 EGFR (0.82) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6780054 0.74 KDM4E (0.76) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6780060 0.74 KDM4E (0.76) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL6780063 0.74 KDM4E (0.76) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL17232859 0.74 RECQL (0.73) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL8831219 0.73 RECQL (0.70) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL8831222 0.73 RECQL (0.70) SMN1; SMN2RECQLHIF1AEGFRPDGFRB

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
WO-2015166042-A1 STILBENE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF CANCER DE MONTFORT UNIVERSITY (GB) 2015-11-05 — — WO disclosed
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