SCHEMBL29901808

SCHEMBL29901808

Cn1cc(-c2cc(S(C)(=O)=O)ccc2NC2CCCCC2)nn1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 14/20 0.54
PTGS2 P35354 5/20 0.43
PTGS1 P23219 2/20 0.41
YAP1 P46937 1/20 0.39

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
SCHEMBL20766987 1.00 BRD4 (0.54) BRD4PTGS2PTGS1YAP1
SCHEMBL20767361 0.89 BRD4 (0.43) BRD4YAP1
SCHEMBL20766196 0.84 BRD4 (0.56) BRD4PTGS2PTGS1YAP1
SCHEMBL29901813 0.84 BRD4 (0.56) BRD4PTGS2PTGS1YAP1
SCHEMBL20766946 0.81 BRD4 (0.55) BRD4PTGS2
SCHEMBL29901795 0.81 BRD4 (0.55) BRD4PTGS2
SCHEMBL20767240 0.80 BRD4 (0.52) BRD4PTGS2PTGS1YAP1
SCHEMBL20779812 0.80 OPRK1 (0.38) BRD4
SCHEMBL25781538 0.76 BRD4 (0.54) BRD4PTGS2PTGS1YAP1
SCHEMBL20779647 0.74 KDM1A (0.52) BRD4PTGS2PTGS1YAP1

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