SCHEMBL24176341

SCHEMBL24176341

O=C(Nc1c2c(nn1-c1ccncc1)CSC2)c1cccc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 6/20 1.00
PDE2A O00408 2/20 0.75
PDE6D O43924 2/20 0.75
PDE8A O60658 2/20 0.75
PDE5A O76074 2/20 0.75
PDE9A O76083 2/20 0.75
PDE8B O95263 2/20 0.75
PDE6A P16499 2/20 0.75
PDE6G P18545 2/20 0.75
PDE4A P27815 2/20 0.75
PDE6B P35913 2/20 0.75
PDE6C P51160 2/20 0.75
PDE1A P54750 2/20 0.75
PDE1B Q01064 2/20 0.75
PDE4B Q07343 2/20 0.75
PDE4C Q08493 2/20 0.75
PDE4D Q08499 2/20 0.75
PDE3B Q13370 2/20 0.75
PDE7A Q13946 2/20 0.75
PDE6H Q13956 2/20 0.75

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
SCHEMBL24176321 0.89 ENPP2 (1.00) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL24176468 0.85 ENPP2 (0.76) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL24176473 0.84 ENPP2 (1.00) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL29392391 0.80 HTT (0.67) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL4881700 0.80 HTT (0.67) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL4878644 0.79 ENPP2 (0.66) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL4872832 0.73 ENPP2 (0.58) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL4881992 0.72 TSHR (0.69) ENPP2PDE2APDE6DPDE8APDE5A
SCHEMBL4879266 0.69 ENPP2 (0.73) ENPP2KMT2AMEN1ALDH1A1CYP1A2
SCHEMBL8556169 0.69 DEGS1 (0.69) KMT2AMEN1ALDH1A1MAPT

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-2022003377-A1 THIENO[3,4-C]PYRAZOL-3-YL ACETAMIDES AS AUTOTAXIN INHIBITORS UNI-PHARMA KLEON TSETIS PHARMACEUTICAL LABORATORIES S.A. (GR) 2022-01-06 WO disclosed