SCHEMBL26558976

SCHEMBL26558976

C[S+]([O-])NCC1CCCN(c2ncnc3ccc(F)cc23)C1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.50
▸ CHRM4 P08173 1/20 0.45
▸ PRKDC P78527 8/20 0.40
▸ TP53 P04637 2/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ ENPP1 P22413 1/20 0.38
▸ PDGFRB P09619 1/20 0.38
▸ PIK3CD O00329 1/20 0.38
▸ PIK3CA P42336 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.38
▸ JAK3 P52333 1/20 0.38

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
SCHEMBL26559944 0.88 HTT (0.50) HTTPRKDCPDE3ADYRK1AENPP1
SCHEMBL26563955 0.86 ENPP1 (0.49) PRKDCPDE3AENPP1PDGFRBPDE10A
SCHEMBL26564041 0.86 PRKDC (0.39) PRKDCPDE3ADYRK1AENPP1JAK3
SCHEMBL26563764 0.85 PRKDC (0.47) HTTCHRM4PRKDCTP53
SCHEMBL26559608 0.84 ENPP1 (0.39) PRKDCPDE3AENPP1JAK3
SCHEMBL26563914 0.84 HTT (0.55) HTTCHRM4PRKDCTP53PDE3A
SCHEMBL30562899 0.82 HTT (0.50) HTTCHRM4PRKDCDYRK1AENPP1
SCHEMBL21664258 0.82 HTT (0.50) HTTCHRM4PRKDCDYRK1AENPP1
SCHEMBL26564201 0.82 JAK2 (0.41) PRKDCPDE3AENPP1PDE10AJAK3
SCHEMBL26552621 0.82 HTT (0.49) HTTCHRM4PRKDCTP53PDE3A

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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