SCHEMBL26563909

SCHEMBL26563909

COc1cc2ncnc(N3CCCC(CNS(C)(=O)=O)C3)c2cc1C(C)F

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 11/20 0.58
▸ PDE3A Q14432 5/20 0.47
▸ PDE10A Q9Y233 4/20 0.45
▸ PDE3B Q13370 3/20 0.45
▸ PIK3CD O00329 1/20 0.44
▸ PIK3R1 P27986 1/20 0.44
▸ PIK3CA P42336 1/20 0.44
▸ PIK3CB P42338 1/20 0.44
▸ HTR1A P08908 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
SCHEMBL21664268 0.89 ENPP1 (0.71) ENPP1PDE3APDE10APDE3BHTR1A
SCHEMBL21664410 0.85 ENPP1 (0.59) ENPP1PDE3APDE10APDE3BHTR1A
SCHEMBL21664290 0.81 ENPP1 (0.52) ENPP1PDE3A
SCHEMBL25552086 0.80 ENPP1 (0.53) ENPP1PDE3A
SCHEMBL21664253 0.80 ENPP1 (0.58) ENPP1PDE3APDE10APDE3BPIK3CD
SCHEMBL30562935 0.80 ENPP1 (0.58) ENPP1PDE3APDE10APDE3BPIK3CD
SCHEMBL21664332 0.80 ENPP1 (0.52) ENPP1PDE3APDE10AHTR1A
SCHEMBL21664291 0.79 ENPP1 (0.50) ENPP1PDE3A
SCHEMBL30562895 0.79 ENPP1 (0.50) ENPP1PDE3A
SCHEMBL25551815 0.79 ENPP1 (0.50) ENPP1PDE3A

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
EP-3551188-B1 SUBSTITUTED QUINAZOLINE SULFONAMIDES AS THIOREDOXIN INTERACTING PROTEIN (TXNIP) INHIBITORS SOUTHERN RES INST (US) 2023-10-18 — — EP disclosed
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