SCHEMBL31715284

SCHEMBL31715284

O=c1c2ccc(-c3cnco3)cc2ncn1Cc1ccc(Cl)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.53
▸ GRK2 P25098 3/20 0.50
▸ GRK1 Q15835 2/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.49
▸ NOTUM Q6P988 1/20 0.47
▸ SCD O00767 2/20 0.44
▸ MMP13 P45452 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ CYP11B1 P15538 1/20 0.41
▸ CYP11B2 P19099 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ BRD4 O60885 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GRK5 P34947 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
SCHEMBL31715259 0.83 SCD (0.48) PDE5AGRK2HDAC6SCDMMP13
SCHEMBL31715291 0.80 HDAC6 (0.51) PDE5AGRK2HDAC6SCD
SCHEMBL2318142 0.75 PDE5A (0.59) PDE5AGRK2GRK1HDAC6SCD
SCHEMBL31715261 0.75 PDE5A (0.39) PDE5AGRK2HDAC6SCDMMP13
SCHEMBL14478795 0.73 PDE5A (0.65) PDE5AGRK2GRK1HDAC6SCD
SCHEMBL5532025 0.72 RAB9A (0.65) SCDCYP11B1CYP11B2MAPK1HTT
SCHEMBL2317452 0.71 MAPT (0.71) PDE5AHDAC6MAPK1HTTSMN1; SMN2
SCHEMBL31715265 0.69 PDE5A (0.38) PDE5AHDAC6SCDMMP13TP53
SCHEMBL2315906 0.69 HDAC6 (0.59) PDE5AHDAC6SCDMMP13SMN1; SMN2
SCHEMBL2317671 0.68 SCD (0.84) PDE5AHDAC6SCDSMN1; SMN2

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-2025227148-A1 BICYCLIC HETEROCYCLE COMPOUNDS FOR TREATMENT OF HERPES VIRUSES ASSEMBLY BIOSCIENCES, INC. (US) 2025-10-30 — — WO disclosed
Send feedback