SCHEMBL23770757

SCHEMBL23770757

CCOC(=O)C1(C)CCN(c2cccc(SNc3ccc(C(F)(F)F)c(-c4ccccc4C)n3)n2)CC1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
TACR1 P25103 2/20 0.32
GUCY1A1 Q02108 1/20 0.32
GUCY1B1 Q02153 1/20 0.32
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 1/20 0.32
POLB P06746 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
JAK3 P52333 1/20 0.31
GAA P10253 2/20 0.31
PRKCA P17252 2/20 0.30
PRKCQ Q04759 2/20 0.30
L3MBTL1 Q9Y468 2/20 0.30
PTPN11 Q06124 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL23770841 0.92 MEN1 (0.34) MEN1KMT2ALMNARAB9AOPRM1
SCHEMBL23770853 0.91 ABL1 (0.34) MEN1KMT2ALMNARAB9AOPRM1
SCHEMBL23770864 0.88 HDAC3 (0.34) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL23770832 0.87 RBP4 (0.33) PRKCAPRKCQPTPN11
SCHEMBL19925244 0.84 SCN9A (0.33) MEN1KMT2ALMNARAB9ATACR1
SCHEMBL29464451 0.84 SCN9A (0.33) MEN1KMT2ALMNARAB9ATACR1
SCHEMBL23770497 0.83 RBP4 (0.35) PRKCAPRKCQ
SCHEMBL23770433 0.83 PDE10A (0.36) MEN1KMT2ATACR1GAAL3MBTL1
SCHEMBL23770865 0.82 KHK (0.35) MEN1KMT2ATACR1PTPN11
SCHEMBL23770723 0.82 PTPN11 (0.35) LMNATACR1POLBGAAPTPN11

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
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed