SCHEMBL30883111

SCHEMBL30883111

O=S(=O)(Cc1ccccc1)n1c(CO)cc2nc(Cl)ccc21

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.39
PRKACA P17612 1/20 0.39
PRKACG P22612 1/20 0.39
PRKACB P22694 1/20 0.39
GSR P00390 1/20 0.38
TXNRD1 Q16881 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
CYP2C19 P33261 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
RAB9A P51151 1/20 0.34
RHEB Q15382 1/20 0.34
NR1I2 O75469 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
SCHEMBL30883114 0.88 LMNA (0.38) SRCPRKACAPRKACGPRKACBGSR
SCHEMBL7213488 0.82 PPARG (0.48) SRCLMNAGAAHPGDTSHR
SCHEMBL30883100 0.77 NOD2 (0.47) CYP2C19LMNAGAAMEN1KMT2A
SCHEMBL16818436 0.77 BRD4 (0.50) CYP2C19LMNAMEN1KMT2ACYP2C9
SCHEMBL26620218 0.73 PPARG (0.47) LMNAGAAHPGDTSHR
SCHEMBL30296816 0.73 PPARG (0.47) LMNAGAAHPGDTSHR
SCHEMBL16235830 0.71 PPARG (0.46) SRCLMNAGAAHPGDTSHR
SCHEMBL7214465 0.70 PPARG (0.46) SRCLMNAGAAHPGDTSHR
SCHEMBL3535429 0.69 PPARG (0.68)
SCHEMBL27732238 0.68 PPARG (0.67)

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-117916241-A Spiro compounds 阿斯利康(瑞典)有限公司 2024-04-19 CN disclosed