SCHEMBL19984805

SCHEMBL19984805

O=S(=O)(NCc1nnc(-c2cnccn2)o1)N1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.37
HDAC6 Q9UBN7 1/20 0.35
POLB P06746 1/20 0.35
PKM P14618 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LRRK2 Q5S007 1/20 0.34
VNN1 O95497 2/20 0.33
GSK3B P49841 1/20 0.33
DYRK1A Q13627 1/20 0.33
LMNA P02545 1/20 0.33
TERT O14746 1/20 0.33
NLRP3 Q96P20 1/20 0.33
MTOR P42345 1/20 0.33
NAMPT P43490 1/20 0.33
PIEZO1 Q92508 2/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL19984850 0.73 HDAC6 (0.40) HDAC6POLBPKMLRRK2GSK3B
SCHEMBL19984983 0.66 KDM4E (0.47) KDM4ETERTPIEZO1MEN1ALDH1A1
SCHEMBL26777790 0.64 KDM4E (0.48) KDM4ETERTNLRP3PIEZO1MEN1
SCHEMBL19984827 0.63 KDM4E (0.44) KDM4ETERTNLRP3PIEZO1MEN1
SCHEMBL19984852 0.62 KDM4E (0.37) KDM4ETERTNLRP3PIEZO1MEN1
SCHEMBL19984831 0.62 LRRK2 (0.35) HDAC6POLBPKMLRRK2VNN1
SCHEMBL1256022 0.62 LMNA (0.56) POLBKDM4ELMNAGAAMEN1
SCHEMBL19981272 0.60 POLB (0.39) NPY5RPOLBPKMVNN1GAA
SCHEMBL19331947 0.60 POLB (0.38) POLBPKMLRRK2GAAALDH1A1
SCHEMBL15599488 0.58 KDM4E (0.50) KDM4ETERTPIEZO1MEN1ALDH1A1

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-2018051255-A1 CYCLIC SUBSTITUTED-1,3,4-OXADIAZOLE AND THIADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed