SCHEMBL30504335

SCHEMBL30504335

Cc1cc(CS(=O)(=O)O)n(C)n1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
KCNH2 Q12809 8/20 0.36
GRIN2B Q13224 2/20 0.35
P2RX7 Q99572 1/20 0.35
FFAR1 O14842 1/20 0.35
CYP2C19 P33261 1/20 0.35
LMNA P02545 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PARG Q86W56 2/20 0.33
GRIN1 Q05586 1/20 0.33

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
Hydrochloric Acid SCHEMBL28086937 0.77 SMN1; SMN2 (0.41) DAOSMN1; SMN2LMNAKDM4E
SCHEMBL14672994 0.75 SMN1; SMN2 (0.42) SMN1; SMN2LMNAKDM4E
SCHEMBL243531 0.74
SCHEMBL2827976 0.72 LMNA (0.46) DAOSMN1; SMN2KCNH2GRIN2BP2RX7
SCHEMBL20353295 0.72 SMN1; SMN2 (0.43) DAOSMN1; SMN2KCNH2GRIN2BP2RX7
SCHEMBL19634920 0.71 P2RX7 (0.40) DAOSMN1; SMN2KCNH2GRIN2BP2RX7
Hydrochloric Acid SCHEMBL1193206 0.70 KCNH2 (0.43) DAOSMN1; SMN2KCNH2GRIN2BP2RX7
SCHEMBL2998525 0.70 SMN1; SMN2 (0.40) SMN1; SMN2CYP2C19LMNAKDM4E
SCHEMBL17864265 0.70
SCHEMBL14554955 0.70

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
CN-111808024-B Phenyl pyrazolone compound or salt thereof, preparation method and application 郑州手性药物研究院有限公司 2023-06-27 CN disclosed