SCHEMBL7790446

SCHEMBL7790446

O=P(O)(O)C(Nc1ncc(Cl)cc1Cl)P(=O)(O)O

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 6/20 0.55
FDFT1 P37268 2/20 0.55
CA14 Q9ULX7 3/20 0.53
CA1 P00915 1/20 0.53
MMP8 P22894 2/20 0.46
MMP14 P50281 2/20 0.46
CRHR1 P34998 1/20 0.40
CA2 P00918 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL7794289 0.80 SMN1; SMN2 (0.56) CA1MMP2
SCHEMBL7784779 0.76 CRHR1 (0.43) CRHR1
SCHEMBL8007654 0.73 CRHR1 (0.48) CRHR1
SCHEMBL4255981 0.71 FDPS (1.00) FDPSFDFT1CA14CA1MMP8
SCHEMBL9034534 0.70 GAA (0.46) CRHR1
SCHEMBL9790803 0.68 FDPS (0.66) FDPSFDFT1CA14MMP8MMP14
SCHEMBL11446331 0.67 PTK2 (0.51)
SCHEMBL1198968 0.66 HTT (0.46) CRHR1
SCHEMBL31317020 0.66 HTT (0.46) CRHR1
SCHEMBL12909531 0.66 KMT2A (0.50) CRHR1

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-0762883-B1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 2001-11-14 EP claimed