SCHEMBL31399765

SCHEMBL31399765

O=S(=O)(O)c1cccc2c(O)cccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.70
TTR P02766 1/20 0.62
AURKA O14965 1/20 0.58
AURKB Q96GD4 1/20 0.58
LDHA P00338 1/20 0.53
CYP1A2 P05177 3/20 0.51
MPL P40238 2/20 0.50
TNNI3 P19429 1/20 0.50
TNNT2 P45379 1/20 0.50
TNNC1 P63316 1/20 0.50
HKDC1 Q2TB90 1/20 0.50
COMT P21964 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
NSD2 O96028 1/20 0.48
POLB P06746 1/20 0.48
IDE P14735 1/20 0.48
DUSP3 P51452 1/20 0.48
CCR6 P51684 1/20 0.48
BLM P54132 1/20 0.48

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
SCHEMBL30165664 1.00 CDK2 (0.70) CDK2TTRAURKAAURKBLDHA
SCHEMBL464971 1.00 CDK2 (0.70) CDK2TTRAURKAAURKBLDHA
SCHEMBL4676606 0.98 CDK2 (0.68) CDK2TTRAURKAAURKBLDHA
SCHEMBL4676601 0.98 CDK2 (0.68) CDK2TTRAURKAAURKBLDHA
SCHEMBL15121284 0.94 LDHA (0.63) CDK2TTRAURKAAURKBLDHA
Phenol SCHEMBL11600777 0.91 CDK2 (0.59) CDK2TTRAURKAAURKBLDHA
SCHEMBL6242 0.89 TTR (0.75) CDK2TTRAURKAAURKBCYP1A2
SCHEMBL29363198 0.89 TTR (0.75) CDK2TTRAURKAAURKBCYP1A2
SCHEMBL30233642 0.89 TTR (0.75) CDK2TTRAURKAAURKBCYP1A2
SCHEMBL29564390 0.87 LDHA (0.70) CDK2TTRAURKAAURKBLDHA

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