SCHEMBL17232854

SCHEMBL17232854

COc1cc(/C=C(\C#N)c2cccnc2)ccc1C

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 2/20 0.82
▸ SMN1; SMN2 Q16637 2/20 0.82
▸ RECQL P46063 1/20 0.82
▸ HIF1A Q16665 1/20 0.82
▸ PDGFRB P09619 1/20 0.82
▸ PDGFRA P16234 1/20 0.82
▸ MAPT P10636 3/20 0.57
▸ POLB P06746 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.55
▸ NPC1 O15118 1/20 0.55
▸ RAB9A P51151 1/20 0.55
▸ MEN1 O00255 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ DYRK1A Q13627 4/20 0.50
▸ KIF20A O95235 4/20 0.50
▸ CLK1 P49759 3/20 0.50
▸ IGF1R P08069 1/20 0.49
▸ IGF2R P11717 1/20 0.49
▸ CYP1A1 P04798 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47

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
SCHEMBL241869 0.90 SMN1; SMN2 (1.00) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL1959494 0.90 SMN1; SMN2 (1.00) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL31060645 0.90 SMN1; SMN2 (1.00) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL29800237 0.90 SMN1; SMN2 (1.00) EGFRSMN1; SMN2RECQLHIF1APDGFRB
Hydrochloric Acid SCHEMBL1957339 0.89 SMN1; SMN2 (0.98) EGFRSMN1; SMN2RECQLHIF1APDGFRB
Hydrochloric Acid SCHEMBL1957337 0.89 SMN1; SMN2 (0.98) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL17232859 0.87 RECQL (0.73) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL6782221 0.86 EGFR (0.82) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL6782228 0.86 EGFR (0.82) EGFRSMN1; SMN2RECQLHIF1APDGFRB
SCHEMBL6782225 0.86 EGFR (0.82) EGFRSMN1; SMN2RECQLHIF1APDGFRB

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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