SCHEMBL28307337

SCHEMBL28307337

CCc1cc(C(C)C)nc(N=S(=O)=O)c1[N+](=O)[O-]

nearest known ligand 0.30

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL3054835 0.63 ALDH1A1 (0.32) HTTPOLBMAPT
SCHEMBL3054833 0.60 PGK1 (0.41) HTTPOLBMAPT
SCHEMBL11734474 0.59 POLB (0.46) HTTPOLBMAPT
SCHEMBL22696464 0.59 GRIN2D (0.41) HTTPOLBMAPT
SCHEMBL24759678 0.58 NOS3 (0.39)
SCHEMBL11859386 0.57 TSHR (0.37) HTTPOLBMAPT
SCHEMBL28879241 0.57 HTT (0.43) HTTPOLBMAPT
SCHEMBL15431038 0.57 NOS3 (0.32)
SCHEMBL27674722 0.56 ALDH1A1 (0.36) HTTPOLBMAPT
SCHEMBL21027636 0.56 TNKS2 (0.44) HTTMAPT

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