SCHEMBL23536585

SCHEMBL23536585

CN(C)S(=O)(=O)c1ccc(S(=O)(=O)n2nc(N3CCC(C(N)=O)(c4ccc(F)cc4F)CC3)c3ccccc32)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.34
OPRL1 P41146 2/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 2/20 0.34
HTT P42858 1/20 0.34
CCR1 P32246 1/20 0.33
MAPT P10636 2/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32
POLB P06746 1/20 0.32
HTR6 P50406 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ATM Q13315 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
SCHEMBL23536772 0.89 LMNA (0.39) LMNASMN1; SMN2TP53ALDH1A1CYP3A4
SCHEMBL23536667 0.86 LMNA (0.34) LMNAGAASMN1; SMN2TP53HTT
SCHEMBL23536619 0.86 TP53 (0.34) LMNAGAASMN1; SMN2TP53HTT
SCHEMBL23536661 0.82 SMN1; SMN2 (0.46) LMNAGAASMN1; SMN2TP53HTT
SCHEMBL23536524 0.81 SMN1; SMN2 (0.36) LMNAGAASMN1; SMN2TP53HTT
Formic Acid SCHEMBL23536757 0.78 LMNA (0.33) LMNAGAASMN1; SMN2TP53HTT
SCHEMBL23536596 0.76 SLC6A2 (0.39) LMNAGAASMN1; SMN2TP53HTT
SCHEMBL23536839 0.74 HSD17B10 (0.39) LMNASMN1; SMN2ALDH1A1HTR6CYP3A4
SCHEMBL23536635 0.73 HSD17B10 (0.48) LMNAGAAHTTALDH1A1KDM4E
SCHEMBL23536666 0.73 GPR119 (0.34) SMN1; SMN2ALDH1A1HTR6CYP3A4CYP2D6

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