SCHEMBL23536755

SCHEMBL23536755

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2ncc3c(Sc4ccc(F)cc4)cccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.43
HTR6 P50406 7/20 0.38
RORC P51449 4/20 0.37
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
NR3C1 P04150 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ALDH3A1 P30838 2/20 0.34

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
SCHEMBL23536607 0.76 HTR6 (0.44) CCR1HTR6LMNAHTTSMN1; SMN2
SCHEMBL23536676 0.75 HTR6 (0.38) CCR1HTR6RORCLMNATP53
SCHEMBL23536654 0.71 SCN5A (0.38) CCR1HTR6RORCLMNATP53
SCHEMBL23536574 0.71 SLC6A2 (0.40) CCR1RORC
SCHEMBL23536553 0.69 MAPT (0.38) CCR1HTR6RORCLMNATP53
SCHEMBL23536663 0.68 HTR6 (0.46) CCR1HTR6RORCLMNATP53
SCHEMBL2446984 0.67 RORC (0.44) HTR6RORCLMNAGAAHTT
SCHEMBL6180636 0.66 HDAC3 (0.57) HTR6RORCLMNAGAAHTT
SCHEMBL18867934 0.66 LMNA (0.59) LMNATP53GAAHTTSMN1; SMN2
SCHEMBL642787 0.66 LMNA (0.59) LMNATP53GAAHTTSMN1; 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 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