SCHEMBL30562931

SCHEMBL30562931

CS(=O)(=O)NCC1CCCN(c2ncnc3cc(N4CCOCC4)c(F)cc23)C1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 14/20 0.48
▸ ENPP1 P22413 2/20 0.46
▸ MAOB P27338 1/20 0.45
▸ PIK3CD O00329 1/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ PIK3CA P42336 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ USP2 O75604 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ KDM1A O60341 1/20 0.41

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
SCHEMBL21664315 1.00 PRKDC (0.48) PRKDCENPP1MAOBPIK3CDPIK3R1
SCHEMBL21664290 0.88 ENPP1 (0.52) PRKDCENPP1
SCHEMBL26553039 0.86 PRKDC (0.49) PRKDCKDM1A
SCHEMBL21664291 0.85 ENPP1 (0.50) PRKDCENPP1
SCHEMBL30562895 0.85 ENPP1 (0.50) PRKDCENPP1
SCHEMBL21664420 0.84 ENPP1 (0.49) PRKDCENPP1
SCHEMBL30562896 0.84 ENPP1 (0.49) PRKDCENPP1
SCHEMBL21664327 0.84 ENPP1 (0.49) PRKDCENPP1
SCHEMBL21664418 0.84 PRKDC (0.69) PRKDC
SCHEMBL21664260 0.84 PRKDC (0.58) PRKDCUSP2LMNACYP1A2CYP3A4

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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