SCHEMBL28306175

SCHEMBL28306175

CS(=O)(=O)c1cc(CCc2ccccc2)c([N+](=O)[O-])c(N)n1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.43
MGMT P16455 1/20 0.43
LMNA P02545 4/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
ALDH1A1 P00352 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
BLM P54132 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.39
RECQL P46063 1/20 0.38
CYP19A1 P11511 1/20 0.38
CYP1A2 P05177 1/20 0.38

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
SCHEMBL28307335 0.83 HTT (0.38) MAPTMGMTLMNAHPGDHTT
SCHEMBL28307341 0.81 HTT (0.45) MAPTMGMTLMNAHPGDHTT
SCHEMBL28307334 0.81 TLR8 (0.37) MAPTLMNAKMT2AHTTALDH1A1
SCHEMBL28306176 0.72 KMT2A (0.37) MAPTMGMTLMNAHPGDKMT2A
SCHEMBL28307339 0.72 MAPT (0.38) MAPTLMNAHPGDKMT2AHTT
SCHEMBL28307346 0.69 PIN1 (0.42) MAPTMGMTLMNAHPGDKMT2A
SCHEMBL28307340 0.69 MAPT (0.39) MAPTLMNAHPGDKMT2AHTT
SCHEMBL28306167 0.68 SMN1; SMN2 (0.45) MAPTMGMTLMNAHPGDKMT2A
SCHEMBL27863332 0.68 ALDH1A1 (0.44) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL28306205 0.67 KMT2A (0.35) MAPTLMNAKMT2AHTTALDH1A1

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-A Pyridine sulfone and its derivative, preparation method and application 湖南化工研究院有限公司 2019-07-05 CN claimed
CN-109970633-A Pyridine sulfone and its derivative, preparation method and application 湖南化工研究院有限公司 2019-07-05 CN disclosed