SCHEMBL38116

SCHEMBL38116

O=C(O)c1cc2nc(Cc3cccs3)[nH]c(=O)c2s1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.63
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
LMNA P02545 4/20 0.48
TSHR P16473 2/20 0.48
PNP P00491 2/20 0.45
POLB P06746 3/20 0.42
PKM P14618 1/20 0.41
PARP1 P09874 1/20 0.41
WNT3A P56704 1/20 0.41
TNKS2 Q9H2K2 1/20 0.41
RAB9A P51151 2/20 0.40
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL46453 0.85 KDM4E (0.50) PDE5AKDM4ESMN1; SMN2LMNATSHR
SCHEMBL37513 0.83 PDE5A (0.79) PDE5AKDM4ETSHRPKMGAA
SCHEMBL37536 0.81 PDE5A (0.60) PDE5AKDM4ESMN1; SMN2LMNAPOLB
SCHEMBL3491443 0.81 PDE5A (0.63) PDE5AKDM4ESMN1; SMN2LMNATSHR
SCHEMBL37981 0.79 PDE5A (0.66) PDE5AKDM4ESMN1; SMN2LMNAPNP
SCHEMBL38005 0.79 PDE5A (0.69) PDE5AKDM4E
SCHEMBL37583 0.78 PDE5A (0.78) PDE5AKDM4E
SCHEMBL37737 0.78 PDE5A (0.68) PDE5AKDM4ESMN1; SMN2LMNAPOLB
SCHEMBL12505649 0.78 PDE5A (0.65) PDE5AKDM4ESMN1; SMN2LMNARAB9A
SCHEMBL38235 0.78 PDE5A (0.62) PDE5AKDM4ELMNAPOLBPKM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012004900-A1 THIENOPYRIMIDINE COMPOUNDS ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 WO disclosed
WO-2012004900-A1 THIENOPYRIMIDINE COMPOUNDS ASKA PHARMACEUTICAL CO., LTD. (JP) 2012-01-12 WO disclosed