SCHEMBL23536663

SCHEMBL23536663

CN1CC2(CCN(c3cccc4c3cnn4S(=O)(=O)c3ccc(S(=O)(=O)N(C)C)cc3)CC2)c2ccc(F)cc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 12/20 0.46
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CCR1 P32246 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
POLB P06746 1/20 0.34
DRD2 P14416 2/20 0.33
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33
KCNH2 Q12809 2/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
RORC P51449 1/20 0.32
SLC18A3 Q16572 1/20 0.32

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
SCHEMBL23536524 0.85 SMN1; SMN2 (0.36) HTR6LMNAGAATP53HTT
SCHEMBL23536756 0.79 LMNA (0.35) HTR6LMNAGAATP53HTT
SCHEMBL23536699 0.72 HTR6 (0.52) HTR6CYP3A4CYP2D6DRD2
SCHEMBL23536755 0.68 CCR1 (0.43) HTR6LMNAGAATP53HTT
SCHEMBL23536607 0.67 HTR6 (0.44) HTR6LMNAHTTSMN1; SMN2CCR1
SCHEMBL23536676 0.66 HTR6 (0.38) HTR6LMNAGAATP53HTT
SCHEMBL29932037 0.66 MCOLN2 (0.37) LMNAGAAHTTKDM4EALDH1A1
SCHEMBL26969694 0.65 SMN1; SMN2 (0.44) LMNAGAATP53HTTSMN1; SMN2
SCHEMBL23536654 0.65 SCN5A (0.38) HTR6LMNAGAATP53HTT
SCHEMBL23536574 0.65 SLC6A2 (0.40) CCR1KCNH2RORC

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