SCHEMBL23536736

SCHEMBL23536736

CC(c1ccc(S(=O)(=O)N(C)C)cc1)n1nc(N2CCN(c3ncc(Cl)cc3F)CC2)c2ncccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 3/20 0.37
HSD11B1 P28845 4/20 0.36
TRPV1 Q8NER1 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ADRB2 P07550 2/20 0.33
HTT P42858 2/20 0.33
TP53 P04637 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
MAPK14 Q16539 1/20 0.33
MAPT P10636 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
HSP90AA1 P07900 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 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
SCHEMBL23536626 0.73 HSD11B1 (0.46) HSD11B1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL23536541 0.67 RORC (0.37) PDE4AHSD11B1TRPV1MAPT
SCHEMBL23536303 0.67 MAPK14 (0.40) MEN1KMT2AHTTTP53SMN1; SMN2
SCHEMBL23536536 0.63 HSD11B1 (0.40) PDE4AHSD11B1KMT2AHTTSMN1; SMN2
SCHEMBL23536641 0.62 HTT (0.46) MEN1KMT2AHTTTP53SMN1; SMN2
SCHEMBL23570345 0.62 ALDH1A1 (0.44) HSD11B1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL23536665 0.61 KDM4E (0.41) HSD11B1MEN1KMT2AHTTSMN1; SMN2
SCHEMBL21262632 0.61 SMN1; SMN2 (0.58) KMT2ASMN1; SMN2MAPTTSHRMAPK1
SCHEMBL29931843 0.60 MAPK14 (0.35) MEN1KMT2ASMN1; SMN2MAPK14MAPT
SCHEMBL12263172 0.58 OPRK1 (0.39) SMN1; 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