SCHEMBL21960922

SCHEMBL21960922

Cn1ncc([N+](=O)[O-])c1COS(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
TDP1 Q9NUW8 1/20 0.36
CA12 O43570 2/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
POLB P06746 2/20 0.34
PKM P14618 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
MAPT P10636 2/20 0.34
HTT P42858 2/20 0.34
MITF O75030 1/20 0.34
ALPL P05186 1/20 0.34
APEX1 P27695 1/20 0.34
APOBEC3A P31941 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
SCHEMBL26124247 0.83 TDP1 (0.40) GAAKMT2AMEN1TDP1POLB
SCHEMBL21961361 0.78 PTGS2 (0.39) SMN1; SMN2
SCHEMBL27002716 0.78 CA1 (0.34) GAAKMT2AMEN1TDP1CA12
SCHEMBL13764827 0.76 GAA (0.45) GAAKMT2AMEN1TDP1POLB
SCHEMBL868203 0.76 GAA (0.42) GAAKMT2AMEN1TDP1POLB
SCHEMBL868808 0.76 MEN1 (0.42) GAAKMT2AMEN1TDP1POLB
SCHEMBL27849207 0.73 GAA (0.40) GAAKMT2AMEN1TDP1POLB
SCHEMBL23880174 0.73 L3MBTL1 (0.39) KMT2AMEN1CA12CA1CA2
SCHEMBL23248497 0.72 MEN1 (0.36) GAAKMT2AMEN1TDP1POLB
SCHEMBL5410258 0.72 GAA (0.48) GAAKMT2AMEN1TDP1POLB

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-3478675-B1 HETEROAROMATIC DERIVATIVES AS NIK INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2020-04-22 EP disclosed