SCHEMBL17232856

SCHEMBL17232856

COc1ccccc1/C=C(\C#N)c1cccnc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.66
▸ RECQL P46063 1/20 0.66
▸ HIF1A Q16665 1/20 0.66
▸ EGFR P00533 1/20 0.66
▸ PDGFRB P09619 1/20 0.66
▸ PDGFRA P16234 1/20 0.66
▸ CYP1A1 P04798 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ CYP1B1 Q16678 1/20 0.56
▸ KIF20A O95235 2/20 0.56
▸ CAPN1 P07384 1/20 0.54
▸ CTSL P07711 1/20 0.54
▸ CTSB P07858 1/20 0.54
▸ KDM4E B2RXH2 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ RAB9A P51151 3/20 0.53
▸ POLB P06746 2/20 0.53
▸ CHEK1 O14757 1/20 0.53

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
SCHEMBL17232858 0.89 SMN1; SMN2 (0.62) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL27484412 0.87 CYP1A1 (0.60) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL13485325 0.83 KMT2A (0.59) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL241869 0.80 SMN1; SMN2 (1.00) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL31060645 0.80 SMN1; SMN2 (1.00) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL29800237 0.80 SMN1; SMN2 (1.00) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL1959494 0.80 SMN1; SMN2 (1.00) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
SCHEMBL17232846 0.79 SMN1; SMN2 (0.56) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
Hydrochloric Acid SCHEMBL1957339 0.79 SMN1; SMN2 (0.98) SMN1; SMN2RECQLHIF1AEGFRPDGFRB
Hydrochloric Acid SCHEMBL1957337 0.79 SMN1; SMN2 (0.98) 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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