SCHEMBL28946152

SCHEMBL28946152

CNc1nc(S(C)(=O)=O)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
GALR2 O43603 1/20 0.47
POLB P06746 1/20 0.47
HSF1 Q00613 1/20 0.36
TXNRD1 Q16881 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
VCAM1 P19320 2/20 0.36
MAPT P10636 5/20 0.35
ALDH1A1 P00352 2/20 0.35
PKM P14618 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
PTPN1 P18031 1/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 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
SCHEMBL28946153 0.83 MAPT (0.44) LMNAGALR2POLBTXNRD1VCAM1
SCHEMBL28946177 0.83 PGK1 (0.46) LMNAPOLBTXNRD1SMN1; SMN2VCAM1
SCHEMBL28964122 0.81 L3MBTL1 (0.44) LMNAPOLBTXNRD1SMN1; SMN2MAPT
SCHEMBL28946179 0.81 MAPT (0.39) TXNRD1MAPTALDH1A1GLAGAA
SCHEMBL28946165 0.79 L3MBTL1 (0.54) LMNAPOLBTXNRD1SMN1; SMN2MAPT
SCHEMBL28946163 0.79 TXNRD1 (0.42) TXNRD1VCAM1MAPTALDH1A1RAB9A
SCHEMBL3143317 0.78 CYP3A4 (0.40) LMNATXNRD1SMN1; SMN2MAPTALDH1A1
SCHEMBL28946156 0.78 MAPT (0.50) LMNASMN1; SMN2MAPTALDH1A1KDM4E
SCHEMBL28946161 0.78 LMNA (0.48) LMNAPOLBTXNRD1MAPTALDH1A1
SCHEMBL28306174 0.77 ALDH1A1 (0.47) POLBSMN1; SMN2MAPTALDH1A1GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109970633-B Pyridine sulfone and derivative, preparation method and application thereof 湖南化工研究院有限公司 2022-12-27 CN claimed
CN-109970633-B Pyridine sulfone and derivative, preparation method and application thereof 湖南化工研究院有限公司 2022-12-27 CN disclosed