SCHEMBL23536671

SCHEMBL23536671

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(N3CCCC34CCCOC4)c3ccccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 2/20 0.34
JAK1 P23458 2/20 0.34
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 5/20 0.33
MEN1 O00255 3/20 0.33
RXFP1 Q9HBX9 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
ALDH1A1 P00352 3/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL23536635 0.80 HSD17B10 (0.48) HSD17B10LMNAKMT2AMEN1RXFP1
SCHEMBL23536839 0.77 HSD17B10 (0.39) JAK2JAK1HSD17B10LMNAKMT2A
SCHEMBL23536550 0.73 HTR6 (0.34) HSD17B10LMNAKMT2AMEN1TSHR
SCHEMBL23536666 0.73 GPR119 (0.34) HSD17B10KMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL23536682 0.70 HTR6 (0.34) LMNAKMT2AGAAMAPTLOXL2
SCHEMBL23536533 0.69 HTR6 (0.40) LMNAKMT2AMEN1L3MBTL1LOXL2
SCHEMBL23536713 0.69 CYP2C19 (0.41) LMNAKMT2AMEN1TSHRHTT
SCHEMBL31713465 0.67 KMT2A (0.42) HSD17B10KMT2AMEN1RXFP1GAA
SCHEMBL23536596 0.67 SLC6A2 (0.39) LMNAKMT2AMEN1GAATSHR
SCHEMBL23536612 0.66 JAK2 (0.35) JAK2JAK1LMNAALDH1A1L3MBTL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021127333-A1 TRPML MODULATORS CASMA THERAPEUTICS, INC. (US) 2021-06-24 WO disclosed