SCHEMBL28468577

SCHEMBL28468577

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

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.33
CYP1A2 P05177 2/20 0.33
ALPL P05186 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 3/20 0.30
KMT2A Q03164 3/20 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
SCHEMBL17949431 0.79 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1
SCHEMBL1459707 0.75 KMT2A (0.45) HSD17B10KDM4EALDH1A1KMT2A
SCHEMBL9197048 0.73
SCHEMBL9543630 0.72 GAA (0.43) SMN1; SMN2TSHRHSD17B10ALDH1A1GAA
SCHEMBL2998525 0.71 SMN1; SMN2 (0.40) SMN1; SMN2TSHRCYP1A2ALPLKDM4E
SCHEMBL27463853 0.71 SMN1; SMN2 (0.37) SMN1; SMN2CYP1A2KDM4EALDH1A1POLB
SCHEMBL3416368 0.69 SMN1; SMN2 (0.43) SMN1; SMN2TSHRKDM4EPOLBMEN1
SCHEMBL27682646 0.69 SMN1; SMN2 (0.43) SMN1; SMN2CYP1A2HSD17B10KDM4EALDH1A1
SCHEMBL10715626 0.68 KDM1A (0.37) SMN1; SMN2TSHRHSD17B10KDM4EALDH1A1
SCHEMBL3230585 0.68 SMN1; SMN2 (0.34) SMN1; SMN2CYP1A2ALDH1A1POLBMEN1

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-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
CN-111808024-A Phenylpyrazolone compound or salt thereof, preparation method and application 郑州手性药物研究院有限公司 2020-10-23 CN disclosed