SCHEMBL37798

SCHEMBL37798

O=C(O)c1cc2nc(Cc3cccc(Cl)c3)[nH]c(=O)c2s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 4/20 1.00
PDE9A O76083 1/20 0.46
PDE1A P54750 1/20 0.46
PDE1B Q01064 1/20 0.46
PDE1C Q14123 1/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HCAR2 Q8TDS4 1/20 0.46
POLB P06746 1/20 0.44
RNASEH1 O60930 2/20 0.42
KMT2A Q03164 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42

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
SCHEMBL37864 0.90 PDE5A (0.82) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL37626 0.89 PDE5A (0.80) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL37513 0.88 PDE5A (0.79) PDE5AKDM4ERNASEH1KMT2ACDC7
SCHEMBL37583 0.88 PDE5A (0.78) PDE5AKDM4ERNASEH1KMT2ACDC7
SCHEMBL37942 0.87 PDE5A (0.78) PDE5AKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL38178 0.87 PDE5A (0.77) PDE5AKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL38065 0.87 PDE5A (0.77) PDE5ARAB9AHCAR2RNASEH1KMT2A
SCHEMBL46289 0.86 PDE5A (0.76) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL46310 0.85 PDE5A (0.74) PDE5AKDM4ELMNARAB9ASMN1; SMN2
SCHEMBL38530 0.85 PDE5A (0.73) PDE5APDE9APDE1APDE1BPDE1C

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