SCHEMBL9175239

SCHEMBL9175239

Cc1ccc(S(=O)(=O)N2CC(CC(P(=O)(O)O)P(=O)(O)O)C(=O)c3ccccc32)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KCNN4 O15554 2/20 0.48
▸ KCNA3 P22001 2/20 0.48
▸ MMP2 P08253 2/20 0.38
▸ LMNA P02545 4/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ ELANE P08246 1/20 0.35
▸ P2RX4 Q99571 1/20 0.34
▸ HTR6 P50406 1/20 0.34
▸ MMP9 P14780 1/20 0.34

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
SCHEMBL8831623 0.86 KCNN4 (0.45) KCNN4KCNA3MMP2LMNAALDH1A1
SCHEMBL28857559 0.85 KCNN4 (0.52) KCNN4KCNA3MMP2LMNAALDH1A1
SCHEMBL28565985 0.76 KCNN4 (0.60) KCNN4KCNA3MMP2LMNAL3MBTL1
SCHEMBL28448934 0.76 KCNN4 (0.49) KCNN4KCNA3MMP2LMNAALDH1A1
SCHEMBL28565008 0.75 KCNN4 (0.59) KCNN4KCNA3MMP2LMNAL3MBTL1
SCHEMBL28556866 0.75 KCNN4 (0.59) KCNN4KCNA3MMP2LMNAL3MBTL1
SCHEMBL8465151 0.70 MMP2 (0.43) KCNN4KCNA3MMP2ALDH1A1MEN1
SCHEMBL8673020 0.69 KCNN4 (0.56) KCNN4KCNA3MMP2LMNAALDH1A1
SCHEMBL19149798 0.69 KCNN4 (0.56) KCNN4KCNA3MMP2LMNAALDH1A1
SCHEMBL28665779 0.68 KCNA3 (0.89) KCNN4KCNA3MMP2LMNAALDH1A1

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
EP-0544812-B1 BISPHOSPHONIC ACID DERIVATIVES AS ANTI-ARTHRITIC AGENTS UPJOHN CO (US) 1995-04-05 — — EP claimed
Send feedback