SCHEMBL23770829

SCHEMBL23770829

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

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 5/20 0.33
HDAC4 P56524 5/20 0.33
HDAC1 Q13547 5/20 0.33
HDAC7 Q8WUI4 5/20 0.33
HDAC2 Q92769 5/20 0.33
HDAC10 Q969S8 5/20 0.33
HDAC11 Q96DB2 5/20 0.33
HDAC8 Q9BY41 5/20 0.33
HDAC6 Q9UBN7 5/20 0.33
HDAC9 Q9UKV0 5/20 0.33
HDAC5 Q9UQL6 5/20 0.33
OPRM1 P35372 2/20 0.33
SMO Q99835 1/20 0.33
PTPN11 Q06124 5/20 0.32
CNR1 P21554 1/20 0.32
NOS2 P35228 1/20 0.31
RET P07949 1/20 0.31
P2RY1 P47900 1/20 0.30
P2RY12 Q9H244 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
SCHEMBL23770864 0.92 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23770844 0.89 PTPN11 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23770841 0.88 MEN1 (0.34) OPRM1PTPN11
SCHEMBL23770508 0.87 ABL1 (0.35) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23770789 0.87 HDAC3 (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23770874 0.86 SMO (0.31) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23770659 0.84 PTPN11 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23770800 0.84 RORC (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29464958 0.83 SMO (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19927758 0.83 SMO (0.33) HDAC3HDAC4HDAC1HDAC7HDAC2

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