SCHEMBL23536756

SCHEMBL23536756

CN1CC2(CCN(c3nn(S(=O)(=O)c4ccc(S(=O)(=O)N(C)C)cc4)c4cccnc34)CC2)c2ccc(F)cc21

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD11B1 P28845 1/20 0.33
PDE4A P27815 1/20 0.33
HTR6 P50406 3/20 0.32
MAPT P10636 2/20 0.32
HCRTR1 O43613 1/20 0.32
PTGDR2 Q9Y5Y4 2/20 0.31
PTGDR Q13258 1/20 0.31
RORC P51449 2/20 0.30
FABP1 P07148 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
PIK3CA P42336 1/20 0.30

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 0.88 SMN1; SMN2 (0.36) LMNAGAATP53HTTSMN1; SMN2
SCHEMBL23536541 0.81 RORC (0.37) HSD11B1PDE4AMAPTHCRTR1RORC
SCHEMBL23536663 0.79 HTR6 (0.46) LMNAGAATP53HTTSMN1; SMN2
SCHEMBL23536561 0.71 RORC (0.36) HSD11B1PDE4AHTR6MAPTHCRTR1
Formic Acid SCHEMBL23536757 0.71 LMNA (0.33) LMNAGAATP53HTTSMN1; SMN2
SCHEMBL23536619 0.70 TP53 (0.34) LMNAGAATP53HTTSMN1; SMN2
SCHEMBL23536667 0.70 LMNA (0.34) LMNAGAATP53HTTSMN1; SMN2
SCHEMBL23536699 0.69 HTR6 (0.52) HTR6
SCHEMBL23536585 0.69 LMNA (0.34) LMNAGAATP53HTTSMN1; SMN2
SCHEMBL29932037 0.66 MCOLN2 (0.37) LMNAGAAHTTKDM4EALDH1A1

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