SCHEMBL23770871

SCHEMBL23770871

CC1(C(=O)O)CCN(c2cccc(SNc3ccc(Cl)c(-c4ccccc4Cl)n3)n2)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CNR1 P21554 3/20 0.37
HDAC3 O15379 5/20 0.35
HDAC4 P56524 5/20 0.35
HDAC1 Q13547 5/20 0.35
HDAC7 Q8WUI4 5/20 0.35
HDAC2 Q92769 5/20 0.35
HDAC10 Q969S8 5/20 0.35
HDAC11 Q96DB2 5/20 0.35
HDAC8 Q9BY41 5/20 0.35
HDAC6 Q9UBN7 5/20 0.35
HDAC9 Q9UKV0 5/20 0.35
HDAC5 Q9UQL6 5/20 0.35
PTPN11 Q06124 10/20 0.35
KCNH2 Q12809 2/20 0.33
MAPK3 P27361 1/20 0.33
MAPK1 P28482 1/20 0.33
RORC P51449 1/20 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
SCHEMBL23770500 0.91 RORC (0.32) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL23770654 0.90 RORC (0.40) MEN1KMT2ACNR1HDAC3HDAC4
SCHEMBL23770499 0.90 PTPN11 (0.36) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL23770884 0.89 RORC (0.36) MEN1KMT2AHDAC3HDAC4HDAC1
SCHEMBL23770868 0.89 PTPN11 (0.37) MEN1KMT2ACNR1PTPN11KCNH2
SCHEMBL23770835 0.88 PTPN11 (0.34) CNR1PTPN11
SCHEMBL23770844 0.88 PTPN11 (0.33) CNR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23770639 0.86 MGLL (0.35) CNR1HDAC3HDAC4HDAC1HDAC7
SCHEMBL23770475 0.84 L3MBTL1 (0.39) MEN1KMT2ACNR1MAPK1
SCHEMBL22338250 0.83 DGAT1 (0.36) CNR1KCNH2

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