SCHEMBL31261863

SCHEMBL31261863

COC(=O)CCS(=O)(=O)c1ccnc2c(C)ccnc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ TXNRD1 Q16881 1/20 0.39
▸ KMT2A Q03164 5/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HPGD P15428 3/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ MITF O75030 1/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ STAT3 P40763 1/20 0.37
▸ STAT1 P42224 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35

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
SCHEMBL31399712 0.75 APEX1 (0.42) HTTTXNRD1ALDH1A1HPGDMITF
SCHEMBL1379068 0.69 ALDH1A1 (0.48) HTTTSHRTXNRD1ALDH1A1HPGD
SCHEMBL23388245 0.68 JAK2 (0.39) HTTTSHRTXNRD1ALDH1A1HPGD
SCHEMBL7874157 0.67 KMT2A (0.71) KMT2AALDH1A1LMNACYP2C9CYP2C19
SCHEMBL31200835 0.66 ALDH1A1 (0.47) HTTTSHRTXNRD1ALDH1A1HPGD
SCHEMBL31399752 0.65 APEX1 (0.44) HTTTSHRTXNRD1KMT2AALDH1A1
SCHEMBL31399756 0.65 APEX1 (0.44) HTTTSHRTXNRD1KMT2AALDH1A1
SCHEMBL28101227 0.65 MAPT (0.59) HTTKMT2AHPGDMAPTTP53
SCHEMBL7016410 0.64 TXNRD1 (0.36) HTTTXNRD1KMT2AALDH1A1HPGD
SCHEMBL12203219 0.64 CCR1 (0.65) HTTKMT2AMEN1LMNASMN1; SMN2

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-4739671-A1 NEW COMPOUNDS Aston University (GB) 2026-05-13 — — EP disclosed
WO-2025008627-A1 NEW COMPOUNDS ASTON UNIVERSITY (GB) 2025-01-09 — — WO disclosed
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