SCHEMBL21311902

SCHEMBL21311902

Oc1ccc(-c2cnc(Nc3cccc(O)c3)o2)cc1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 8/20 0.68
▸ KDR P35968 6/20 0.59
▸ FLT1 P17948 5/20 0.59
▸ FLT4 P35916 5/20 0.59
▸ SIRT7 Q9NRC8 1/20 0.59
▸ HSD17B1 P14061 1/20 0.57
▸ HSD17B2 P37059 1/20 0.57
▸ ALOX5 P09917 1/20 0.52
▸ TRPV1 Q8NER1 1/20 0.52
▸ DGAT1 O75907 1/20 0.51
▸ IMPDH2 P12268 1/20 0.48

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
SCHEMBL14134239 0.91 KDR (0.66) VCPKDRFLT1FLT4SIRT7
SCHEMBL21311878 0.90 VCP (0.64) VCPKDRFLT1FLT4SIRT7
SCHEMBL14058473 0.87 KDR (0.67) VCPKDRFLT1FLT4SIRT7
SCHEMBL14057525 0.87 TRPV1 (0.66) VCPKDRFLT1FLT4SIRT7
SCHEMBL21311881 0.86 VCP (0.78) VCPKDRFLT1FLT4HSD17B1
SCHEMBL21311885 0.85 VCP (0.85) VCPKDRFLT1FLT4SIRT7
SCHEMBL5184578 0.83 KDR (0.72) VCPKDRFLT1FLT4HSD17B1
SCHEMBL14058062 0.81 IMPDH2 (0.66) VCPKDRFLT1FLT4SIRT7
SCHEMBL1909825 0.81 KDR (0.49) VCPKDRFLT1FLT4SIRT7
SCHEMBL13612916 0.79 VCP (0.50) VCPKDRFLT1FLT4SIRT7

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-2019162911-A1 FNEW ACTIVATORS OF SIRT1 ENZYME FOR THE TREATMENT OF CARDIOVASCULAR AND CARDIOMETABOLIC PATHOLOGIES UNIVERSITA' DI PISA (IT) 2019-08-29 — — WO disclosed
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