SCHEMBL31387014

SCHEMBL31387014

CN1CCc2c(cccc2S(N)(=O)=O)C1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 1/20 0.41
ALDH1A1 P00352 5/20 0.40
STAT3 P40763 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.36
GRM5 P41594 2/20 0.36
CA2 P00918 3/20 0.35
CA1 P00915 2/20 0.35
F10 P00742 1/20 0.35
CA9 Q16790 2/20 0.35
CA12 O43570 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
SCHEMBL27037017 0.85 POLB (0.46) POLBRECQLLMNAALDH1A1SMN1; SMN2
SCHEMBL31387027 0.84 STAT3 (0.36) POLBRECQLSTAT3CA2CA1
SCHEMBL31387075 0.81 GRM5 (0.39) LMNASTAT3GRM5CA2CA1
SCHEMBL31386901 0.81 HTT (0.52) POLBLMNAALDH1A1STAT3SMN1; SMN2
SCHEMBL30955085 0.80 PTGES2 (0.38) CA2CA1CA9CA12
SCHEMBL29777577 0.78 POLB (0.50) POLBRECQLLMNAALDH1A1SMN1; SMN2
SCHEMBL5839859 0.78 POLB (0.50) POLBRECQLLMNAALDH1A1SMN1; SMN2
SCHEMBL23231156 0.78 POLB (0.50) POLBRECQLLMNAALDH1A1SMN1; SMN2
SCHEMBL29777583 0.78 POLB (0.50) POLBRECQLLMNAALDH1A1SMN1; SMN2
SCHEMBL23952507 0.78 POLB (0.50) POLBRECQLLMNAALDH1A1SMN1; 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
CN-119546576-A Novel isoquinolinones pyrrolo-pyridones and thieno pyridone sulfonamide derivatives 豪夫迈·罗氏有限公司 2025-02-28 CN claimed
CN-119546576-A Novel isoquinolinones pyrrolo-pyridones and thieno pyridone sulfonamide derivatives 豪夫迈·罗氏有限公司 2025-02-28 CN disclosed