SCHEMBL9618581

SCHEMBL9618581

CCOC(=O)[C@@H](CCc1ccccc1)OS(=O)(=O)c1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 3/20 0.40
ACE P12821 2/20 0.40
TSHR P16473 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 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
SCHEMBL13902855 0.79 SMN1; SMN2 (0.44) LMNASMN1; SMN2ACETSHRALDH1A1
SCHEMBL4224537 0.78 SMN1; SMN2 (0.49) SMN1; SMN2ACEKMT2ATDP1
SCHEMBL6507266 0.78 KMT2A (0.47) SMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL5080014 0.78 KMT2A (0.47) SMN1; SMN2ALDH1A1KMT2ATDP1
SCHEMBL7722450 0.77 SMN1; SMN2 (0.48) LMNASMN1; SMN2ACEKMT2ATDP1
SCHEMBL1858577 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ACE
SCHEMBL7721713 0.75 SMN1; SMN2 (0.49) LMNASMN1; SMN2ACETSHRKMT2A
SCHEMBL5674353 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ACE
SCHEMBL9773201 0.75 SMN1; SMN2 (0.46) SMN1; SMN2ACE
SCHEMBL7441323 0.74 LMNA (0.51) LMNAGAAALDH1A1

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
JP-4312575-A None JP disclosed
JP-H04312575-A NEW PYRIDINESULFONIC ACID ESTER KURARAY CO LTD 1992-11-04 JP disclosed