SCHEMBL30562896

SCHEMBL30562896

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

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 7/20 0.49
▸ PRKDC P78527 6/20 0.39
▸ PDE3A Q14432 2/20 0.38
▸ IRAK1 P51617 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.37
▸ SIRT1 Q96EB6 1/20 0.37
▸ SIRT3 Q9NTG7 1/20 0.37
▸ AURKA O14965 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ NAMPT P43490 1/20 0.36

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
SCHEMBL21664420 1.00 ENPP1 (0.49) ENPP1PRKDCPDE3AIRAK1SIRT2
SCHEMBL21664421 0.96 ENPP1 (0.49) ENPP1PRKDCPDE3AIRAK1SIRT2
SCHEMBL21664290 0.92 ENPP1 (0.52) ENPP1PRKDCPDE3AIRAK1SIRT2
SCHEMBL25552374 0.90 ENPP1 (0.47) ENPP1PRKDCPDE3A
SCHEMBL30562949 0.90 ENPP1 (0.47) ENPP1PRKDCPDE3A
SCHEMBL21664291 0.89 ENPP1 (0.50) ENPP1PRKDCPDE3AIRAK1SIRT2
SCHEMBL30562895 0.89 ENPP1 (0.50) ENPP1PRKDCPDE3AIRAK1SIRT2
SCHEMBL21664341 0.89 ENPP1 (0.46) ENPP1PRKDC
SCHEMBL21664327 0.89 ENPP1 (0.49) ENPP1PRKDCPDE3AIRAK1SIRT2
SCHEMBL25556705 0.89 ENPP1 (0.49) ENPP1PRKDCPDE3AIRAK1SIRT2

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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