SCHEMBL23536609

SCHEMBL23536609

C[C@@H]1CN(c2nn(S(=O)(=O)c3ccc(S(=N)(=O)N(C)C)cc3)c3ccccc23)C[C@@H](C)O1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.40
KDM4E B2RXH2 5/20 0.40
TSHR P16473 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
HSD17B10 Q99714 4/20 0.37
MAPK1 P28482 2/20 0.37
GAA P10253 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 2/20 0.36
CASP1 P29466 2/20 0.35
MAPT P10636 1/20 0.35
TP53 P04637 1/20 0.35
FFAR2 O15552 3/20 0.34
PKM P14618 2/20 0.34
RAB9A P51151 1/20 0.33
BRCA1 P38398 1/20 0.33
CASP7 P55210 1/20 0.33
HTR6 P50406 3/20 0.33

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
SCHEMBL23536616 0.74 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRSMN1; SMN2MEN1
SCHEMBL23536635 0.72 HSD17B10 (0.48) ALDH1A1KDM4ETSHRMEN1KMT2A
SCHEMBL31602884 0.72 ALDH1A1 (0.41) ALDH1A1KDM4ETSHRSMN1; SMN2MEN1
SCHEMBL23536533 0.71 HTR6 (0.40) KDM4EMEN1KMT2AL3MBTL1LMNA
SCHEMBL23536550 0.71 HTR6 (0.34) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL23536839 0.68 HSD17B10 (0.39) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL1544929 0.67 HTR6 (0.56) HTR6
SCHEMBL23536666 0.66 GPR119 (0.34) ALDH1A1SMN1; SMN2MEN1KMT2AHSD17B10
Hydrochloric Acid SCHEMBL30611197 0.65 HTR6 (0.52) ALDH1A1KDM4EMAPTRAB9AHTR6
Hydrochloric Acid SCHEMBL26911935 0.65 HTR6 (0.52) ALDH1A1KDM4EMAPTRAB9AHTR6

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