SCHEMBL30132040

SCHEMBL30132040

COCOc1cc(-c2ncsn2)ccc1-c1cnc(S(C)(=O)=O)nn1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 3/20 0.36
XDH P47989 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL25885038 1.00 EGFR (0.36) EGFRXDHLMNATP53HPGD
SCHEMBL30275015 0.90 EGFR (0.35) EGFRXDH
SCHEMBL25885043 0.82 EGFR (0.37) EGFRXDHPDE4B
SCHEMBL30132046 0.82 EGFR (0.37) EGFRXDHPDE4B
SCHEMBL30131949 0.78 PTGDR2 (0.37) EGFRLMNATP53HPGDHTT
SCHEMBL21412269 0.78 PTGDR2 (0.37) EGFRLMNATP53HPGDHTT
SCHEMBL25313346 0.71 HTT (0.51) HTT
SCHEMBL30132015 0.71 HTT (0.51) HTT
SCHEMBL21412032 0.69 PDE4B (0.32) EGFRPDE4B
SCHEMBL21412104 0.69 FGFR1 (0.39) EGFRPDE4B

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
CN-115768762-A Compounds for the treatment of huntington's disease PTC医疗公司 2023-03-07 CN disclosed
EP-4132923-A1 COMPOUNDS FOR TREATING HUNTINGTON'S DISEASE PTC Therapeutics, Inc. (US) 2023-02-15 EP disclosed