SCHEMBL25245992

SCHEMBL25245992

[CH2]CN(C[CH2])S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.59
MAPT P10636 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
CNR2 P34972 7/20 0.50
C5AR1 P21730 2/20 0.48
AGER Q15109 1/20 0.48
HTT P42858 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
TAS2R14 Q9NYV8 1/20 0.46
KEAP1 Q14145 1/20 0.46
NFE2L2 Q16236 1/20 0.46
CNR1 P21554 1/20 0.46

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
SCHEMBL2805282 0.86 SMN1; SMN2 (0.56) GLAMAPTMCOLN3CNR2SMN1; SMN2
SCHEMBL3274174 0.82 MAPT (0.55) GLAMAPTMCOLN3C5AR1AGER
SCHEMBL5023540 0.81 HTT (0.73) GLAMAPTMCOLN3CNR2HTT
SCHEMBL6990099 0.80 MAPT (0.61) GLAMAPTMCOLN3C5AR1AGER
SCHEMBL10692733 0.79 GLA (0.59) GLAMAPTMCOLN3CNR2C5AR1
SCHEMBL18591589 0.79 GLA (0.59) GLAMAPTMCOLN3CNR2C5AR1
SCHEMBL258729 0.79 C5AR1 (0.64) GLAMAPTMCOLN3CNR2C5AR1
SCHEMBL9657376 0.78 APOBEC3G (0.52) CNR2HTTLMNASMN1; SMN2TSHR
SCHEMBL2803521 0.78 GLA (0.43) GLAMAPTMCOLN3CNR2HTT
Ditolamide SCHEMBL2110790 0.78 CA9 (0.64) GLACNR2HTTLMNASMN1; 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
WO-2023127855-A1 CYCLOPENTENONE DERIVATIVE AND METHOD FOR PRODUCING SAME 大内新興化学工業株式会社 2023-07-06 WO claimed
WO-2023127855-A1 CYCLOPENTENONE DERIVATIVE AND METHOD FOR PRODUCING SAME 大内新興化学工業株式会社 2023-07-06 WO disclosed