SCHEMBL23770868

SCHEMBL23770868

CC1(C(=O)O)CCN(c2cccc(SNc3ccc(Cl)c(-c4ccc(F)cc4Cl)n3)n2)CC1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 3/20 0.37
CNR1 P21554 5/20 0.36
CNR2 P34972 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
DGAT1 O75907 1/20 0.33
KCNH2 Q12809 1/20 0.33
RORC P51449 1/20 0.33
FAAH O00519 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
RET P07949 2/20 0.32
BTK Q06187 1/20 0.32
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
HTR1A P08908 1/20 0.32
SCN10A Q9Y5Y9 1/20 0.31
ABL1 P00519 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
SCHEMBL23770651 0.91 RORC (0.38) PTPN11CNR1CNR2MEN1KMT2A
SCHEMBL23770871 0.89 MEN1 (0.38) PTPN11CNR1MEN1KMT2AKCNH2
SCHEMBL23770499 0.88 PTPN11 (0.36) PTPN11MEN1KMT2AKCNH2RORC
SCHEMBL23770884 0.87 RORC (0.36) PTPN11MEN1KMT2ARORCHCRTR1
SCHEMBL23770835 0.85 PTPN11 (0.34) PTPN11CNR1RETSCN10A
SCHEMBL23770844 0.84 PTPN11 (0.33) PTPN11CNR1CNR2DGAT1KCNH2
SCHEMBL23770500 0.84 RORC (0.32) PTPN11MEN1KMT2ARORC
SCHEMBL19927752 0.83 PTPN11 (0.36) PTPN11CNR1CNR2MEN1KMT2A
SCHEMBL23770669 0.83 HTR3A (0.40) PTPN11KCNH2HTR1A
SCHEMBL23770724 0.81 MAP4K1 (0.34)

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