SCHEMBL20779552

SCHEMBL20779552

O=[SH](=O)c1ccc(NC2CCCCC2)c(-c2nn[nH]n2)c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
GPR35 Q9HC97 2/20 0.43
GRIK1 P39086 4/20 0.43
GRIA2 P42262 4/20 0.43
PTPN1 P18031 1/20 0.36
STS P08842 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KCNK2 O95069 2/20 0.35
KCNK10 P57789 1/20 0.35
KCNK18 Q7Z418 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
EPHX1 P07099 1/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34

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
SCHEMBL20779647 0.79 KDM1A (0.52) KDM1AGPR35GRIK1GRIA2KMT2A
SCHEMBL20779509 0.77 KDM1A (0.52) KDM1AGPR35GRIK1GRIA2MEN1
SCHEMBL20766338 0.75 KDM1A (0.50) KDM1AGPR35GRIK1GRIA2MEN1
SCHEMBL25788936 0.73 KDM1A (0.46) KDM1AGPR35GRIK1GRIA2
SCHEMBL20779736 0.71 ALDH1A1 (0.38) ALDH1A1
SCHEMBL22646195 0.69 YAP1 (0.43) KMT2AALDH1A1
SCHEMBL30734275 0.66 TDP1 (0.41) GPR35GRIK1GRIA2MEN1KMT2A
SCHEMBL20779612 0.66 BRD4 (0.43) KDM1AGPR35GRIK1GRIA2
SCHEMBL20766229 0.65 KDM1A (0.43) KDM1AGPR35GRIK1GRIA2
SCHEMBL27276191 0.65 MAPT (0.49) GPR35GRIK1GRIA2STSTDP1

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
WO-2019040380-A1 BENZOSULFONYL COMPOUNDS VIVACE THERAPEUTICS, INC. (US) 2019-02-28 WO disclosed