SCHEMBL23770841

SCHEMBL23770841

CCOC(=O)C1(C)CCN(c2cccc(SNc3ccc(C(F)(F)F)c(-c4c(C)cccc4C)n3)n2)CC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PRKCA P17252 6/20 0.32
PRKCQ Q04759 6/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
PTPN11 Q06124 2/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
EIF2AK4 Q9P2K8 1/20 0.31
POLB P06746 1/20 0.31
KIF18A Q8NI77 1/20 0.30
ACACB O00763 1/20 0.30
PIK3CD O00329 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
SCHEMBL23770757 0.92 MEN1 (0.33) MEN1KMT2APRKCAPRKCQLMNA
SCHEMBL23770892 0.90 RORC (0.35) PRKCAPRKCQPTPN11EIF2AK4ACACB
SCHEMBL23770853 0.88 ABL1 (0.34) MEN1KMT2ALMNARAB9AOPRM1
SCHEMBL23770829 0.88 HDAC3 (0.33) OPRM1PTPN11
SCHEMBL29464906 0.84 KIF18A (0.33) MEN1KMT2APRKCAPRKCQOPRM1
SCHEMBL19968854 0.84 KIF18A (0.33) MEN1KMT2APRKCAPRKCQOPRM1
SCHEMBL19970089 0.82 BTK (0.36) PRKCAPRKCQPTPN11EIF2AK4KIF18A
SCHEMBL23770864 0.82 HDAC3 (0.34) MEN1KMT2AOPRM1OPRD1OPRK1
SCHEMBL23770444 0.80 ADRB2 (0.42)
SCHEMBL23770508 0.79 ABL1 (0.35) MEN1KMT2AOPRM1PTPN11

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