SCHEMBL23770639

SCHEMBL23770639

CC(C)COc1ccccc1-c1nc(NSc2cccc(N3CCC(C)(C(=O)O)CC3)n2)ccc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.35
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
CACNA1G O43497 2/20 0.32
CACNA1H O95180 2/20 0.32
CACNA1I Q9P0X4 2/20 0.32
PTGER1 P34995 2/20 0.32
TBXA2R P21731 1/20 0.32
PPARG P37231 1/20 0.32
PTGER3 P43115 1/20 0.32
GUCY1B2 O75343 1/20 0.32

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
SCHEMBL23770487 0.91 MGLL (0.33) MGLLCACNA1GCACNA1HCACNA1IPTGER1
SCHEMBL19970107 0.91 MGLL (0.33) MGLLCACNA1GCACNA1HCACNA1IPTGER1
SCHEMBL23770871 0.86 MEN1 (0.38) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19951384 0.84 MGLL (0.35) MGLLHDAC3HDAC4HDAC1HDAC7
SCHEMBL23770500 0.83 RORC (0.32) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23770499 0.82 PTPN11 (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL23770868 0.81 PTPN11 (0.37) CNR1PTPN11KCNH2
SCHEMBL23770884 0.81 RORC (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL19970136 0.81 BTK (0.33)
SCHEMBL19970145 0.81 BTK (0.33)

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