SCHEMBL30562952

SCHEMBL30562952

CS(=O)(=O)NCC1CCCN(c2ncnc3ccc(N4CCOCC4)cc23)C1

nearest known ligand 0.58

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 19/20 0.58
▸ USP2 O75604 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HIF1A Q16665 1/20 0.49
▸ CLK4 Q9HAZ1 1/20 0.49

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
SCHEMBL21664260 1.00 PRKDC (0.58) PRKDCUSP2LMNACYP1A2CYP3A4
SCHEMBL21664418 0.93 PRKDC (0.69) PRKDC
SCHEMBL26553056 0.85 PRKDC (0.60) PRKDC
SCHEMBL25551755 0.85 ENPP1 (0.49) PRKDCUSP2LMNACYP1A2CYP3A4
SCHEMBL30562931 0.84 PRKDC (0.48) PRKDCUSP2LMNACYP1A2CYP3A4
SCHEMBL21664315 0.84 PRKDC (0.48) PRKDCUSP2LMNACYP1A2CYP3A4
SCHEMBL21664258 0.84 HTT (0.50) PRKDCUSP2LMNACYP1A2CYP3A4
SCHEMBL30562899 0.84 HTT (0.50) PRKDCUSP2LMNACYP1A2CYP3A4
SCHEMBL30562980 0.84 ENPP1 (0.48) PRKDCUSP2LMNACYP1A2CYP3A4
SCHEMBL21664403 0.84 HTT (0.50) PRKDCLMNACYP1A2CYP3A4MAPK1

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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