SCHEMBL28946147

SCHEMBL28946147

CS(=O)(=O)c1ccc([N+](=O)[O-])c(NCCc2ccc(Cl)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
PKM P14618 3/20 0.46
DPP4 P27487 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
POLB P06746 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TXNRD1 Q16881 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
MRGPRX1 Q96LB2 2/20 0.41
STK17A Q9UEE5 1/20 0.40
LMNA P02545 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39
HTT P42858 1/20 0.39
SIRT5 Q9NXA8 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA13 Q8N1Q1 1/20 0.39

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
SCHEMBL28946150 0.89 PKM (0.46) MAPTPKMNPC1RAB9APOLB
SCHEMBL28946146 0.88 NPC1 (0.58) MAPTPKMNPC1RAB9ASMN1; SMN2
SCHEMBL28946162 0.86 MAPT (0.48) MAPTPKMNPC1RAB9ASMN1; SMN2
SCHEMBL28946169 0.82 PRKCQ (0.45) MAPTPKMNPC1RAB9ATXNRD1
SCHEMBL28964122 0.81 L3MBTL1 (0.44) MAPTPKMNPC1RAB9APOLB
SCHEMBL28946165 0.79 L3MBTL1 (0.54) MAPTPKMPOLBSMN1; SMN2TXNRD1
SCHEMBL28946177 0.79 PGK1 (0.46) MAPTPKMPOLBSMN1; SMN2TXNRD1
SCHEMBL28946161 0.78 LMNA (0.48) MAPTPKMRAB9APOLBTXNRD1
SCHEMBL28946158 0.76 L3MBTL1 (0.38) MAPTPKMNPC1RAB9APOLB
SCHEMBL28307336 0.76 KDM4E (0.42) MAPTPOLBLMNAHTT

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