SCHEMBL19981338

SCHEMBL19981338

CC(O)[C@H](N[S+]([O-])NCc1nc(-c2cnccn2)no1)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
ATM Q13315 2/20 0.36
ADAMTS5 Q9UNA0 2/20 0.36
ALDH1A1 P00352 5/20 0.35
BMP1 P13497 1/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.33
NPC1 O15118 1/20 0.33
PKM P14618 1/20 0.33
RAB9A P51151 1/20 0.33
ADAMTS4 O75173 1/20 0.33
GAA P10253 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
SCHEMBL19981139 0.83 POLB (0.40) POLBTDP1L3MBTL1KDM4EKMT2A
SCHEMBL24058648 0.73 VSIR (0.49)
SCHEMBL15504860 0.72 TDP1 (0.51) POLBTDP1L3MBTL1KDM4EKMT2A
SCHEMBL24595309 0.72 VSIR (0.39)
SCHEMBL19981343 0.71 KDM4E (0.52) POLBTDP1L3MBTL1KDM4EKMT2A
SCHEMBL18078012 0.71 VSIR (0.45) POLBTDP1L3MBTL1KDM4EKMT2A
SCHEMBL19866989 0.71 VSIR (0.45) POLBTDP1L3MBTL1KDM4EKMT2A
SCHEMBL19981169 0.71 L3MBTL1 (0.40) POLBTDP1L3MBTL1KDM4EKMT2A
SCHEMBL19867043 0.71 VSIR (0.51) POLBTDP1L3MBTL1KDM4EKMT2A
SCHEMBL18077954 0.71 VSIR (0.51) POLBTDP1L3MBTL1KDM4EKMT2A

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-2018051254-A1 CYCLIC SUBSTITUTED-1,2,4-OXADIAZOLE COMPOUNDS AS IMMUNOMODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2018-03-22 WO disclosed