SCHEMBL23536256

SCHEMBL23536256

CN(C)S(=O)(=O)c1ccc(C(O)(O)C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 1/20 0.54
ABCC8 Q09428 1/20 0.54
KCNJ11 Q14654 1/20 0.54
KCNJ8 Q15842 1/20 0.54
TRPV4 Q9HBA0 1/20 0.52
NR1H3 Q13133 5/20 0.51
NR1H2 P55055 3/20 0.48
LMNA P02545 3/20 0.47
ALDH1A1 P00352 2/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD11B1 P28845 3/20 0.43
RORC P51449 1/20 0.43
HDAC4 P56524 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL24961917 0.86 NR1H3 (0.68) ABCC9ABCC8KCNJ11KCNJ8TRPV4
SCHEMBL13465623 0.81 TRPV4 (0.67) ABCC9ABCC8KCNJ11KCNJ8TRPV4
SCHEMBL4490681 0.75 PTGS2 (0.51) HSD11B1RORC
SCHEMBL4409342 0.75 ALDH1A1 (0.57) ABCC9ABCC8KCNJ11KCNJ8TRPV4
Trifluoroacetic Acid SCHEMBL3610287 0.73 LMNA (0.51) ABCC9ABCC8KCNJ11KCNJ8TRPV4
SCHEMBL23536128 0.72 LMNA (0.52) ABCC9ABCC8KCNJ11KCNJ8TRPV4
SCHEMBL19185561 0.72 ALDH1A1 (0.52) ABCC9ABCC8KCNJ11KCNJ8TRPV4
SCHEMBL10590602 0.71 LMNA (0.52) ABCC9ABCC8KCNJ11KCNJ8TRPV4
SCHEMBL8490500 0.70 ABCC9 (1.00) ABCC9ABCC8KCNJ11KCNJ8
SCHEMBL18867934 0.70 LMNA (0.59) LMNAALDH1A1HTTSMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4076423-A1 TRPML MODULATORS Casma Therapeutics, Inc. (US) 2022-10-26 EP disclosed
CN-115087440-A TRPML modulators 卡斯玛治疗公司 2022-09-20 CN disclosed
WO-2021127337-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed