SCHEMBL23536550

SCHEMBL23536550

C[C@@H]1COC[C@H](C)N1c1nn(S(=O)(=O)c2ccc(S(=O)(=O)N(C)C)cc2)c2ccccc12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 6/20 0.34
NSD2 O96028 1/20 0.33
G6PD P11413 1/20 0.33
CCR6 P51684 1/20 0.33
LMNA P02545 3/20 0.33
HSD17B10 Q99714 1/20 0.32
CYP2C9 P11712 1/20 0.32
NAMPT P43490 1/20 0.32
LOXL2 Q9Y4K0 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC9A1 P19634 1/20 0.32
CYP2D6 P10635 1/20 0.32
KLK7 P49862 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 0.81 HSD17B10 (0.48) HTR6LMNAHSD17B10ALDH1A1MEN1
SCHEMBL23536839 0.76 HSD17B10 (0.39) HTR6LMNAHSD17B10CYP2C9ALDH1A1
SCHEMBL23536533 0.75 HTR6 (0.40) HTR6LMNALOXL2MEN1KMT2A
SCHEMBL23536713 0.74 CYP2C19 (0.41) HTR6G6PDLMNALOXL2ALDH1A1
SCHEMBL23536671 0.73 JAK2 (0.34) LMNAHSD17B10LOXL2ALDH1A1MEN1
SCHEMBL23536612 0.73 JAK2 (0.35) HTR6LMNALOXL2ALDH1A1CYP2D6
SCHEMBL31713295 0.72 HSD11B1 (0.39) HTR6NSD2G6PDCCR6LMNA
SCHEMBL23536609 0.71 ALDH1A1 (0.40) HTR6LMNAHSD17B10ALDH1A1MEN1
SCHEMBL23536666 0.71 GPR119 (0.34) HTR6HSD17B10CYP2C9ALDH1A1MEN1
SCHEMBL23536682 0.70 HTR6 (0.34) HTR6LMNALOXL2MAPTKMT2A

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