SCHEMBL31399712

SCHEMBL31399712

COC(=O)CCS(=O)(=O)c1ccnc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.41
▸ HTT P42858 3/20 0.41
▸ MITF O75030 1/20 0.41
▸ S1PR4 O95977 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ S1PR1 P21453 1/20 0.41
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ EIF4H Q15056 1/20 0.39
▸ TXNRD1 Q16881 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ FAP Q12884 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ PTPN1 P18031 1/20 0.37

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
SCHEMBL4059940 0.76 KDM4E (0.50) SMN1; SMN2HPGDKDM4ECASP3ALDH1A1
SCHEMBL31261863 0.75 HTT (0.42) SMN1; SMN2HTTMITFS1PR4LMNA
SCHEMBL31399752 0.74 APEX1 (0.44) APEX1SMN1; SMN2HTTMITFS1PR4
SCHEMBL31399756 0.74 APEX1 (0.44) APEX1SMN1; SMN2HTTMITFS1PR4
SCHEMBL1379068 0.73 ALDH1A1 (0.48) SMN1; SMN2HTTMITFS1PR4LMNA
SCHEMBL5177349 0.72 LOXL2 (0.43) SMN1; SMN2KDM4EALDH1A1HTR1AADRA1D
SCHEMBL22303101 0.72 RXFP1 (0.52) SMN1; SMN2HTTLMNAHPGDNPSR1
SCHEMBL20571815 0.71 POLB (0.47) APEX1SMN1; SMN2HTTLMNAKDM4E
SCHEMBL28101227 0.70 MAPT (0.59) SMN1; SMN2HTTMITFS1PR4LMNA
SCHEMBL19692833 0.70 HTT (0.52) SMN1; SMN2HTTMITFS1PR4LMNA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4739672-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008626-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
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