SCHEMBL29901795

SCHEMBL29901795

Cn1cc(-c2cc(S(C)(=O)=O)ccc2NC2CCCCC2)cn1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.55
TTK P33981 2/20 0.53
MAPK8 P45983 2/20 0.53
AXL P30530 5/20 0.47
IRAK1 P51617 3/20 0.45
LRRK2 Q5S007 1/20 0.45
MERTK Q12866 1/20 0.45
TYRO3 Q06418 4/20 0.44
JAK2 O60674 1/20 0.44
KCNH2 Q12809 1/20 0.44
PTGS2 P35354 2/20 0.44
IRAK4 Q9NWZ3 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.42

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
SCHEMBL20766946 1.00 BRD4 (0.55) BRD4TTKMAPK8AXLIRAK1
SCHEMBL20779484 0.91 TTK (0.51) BRD4TTKMAPK8AXLIRAK1
SCHEMBL20766987 0.81 BRD4 (0.54) BRD4PTGS2
SCHEMBL29901808 0.81 BRD4 (0.54) BRD4PTGS2
SCHEMBL20766196 0.81 BRD4 (0.56) BRD4IRAK1PTGS2IRAK4
SCHEMBL29901813 0.81 BRD4 (0.56) BRD4IRAK1PTGS2IRAK4
SCHEMBL20779658 0.79 AXL (0.49) TTKMAPK8AXLIRAK1LRRK2
SCHEMBL16650605 0.78 BRD4 (0.61) BRD4
SCHEMBL25781538 0.76 BRD4 (0.54) BRD4PTGS2
SCHEMBL20767240 0.76 BRD4 (0.52) BRD4PTGS2

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-3691623-B1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS INC (US) 2022-10-05 EP disclosed