SCHEMBL7784532

SCHEMBL7784532

O=P(O)(O)C(Nc1ccc(OCc2ccccc2)cn1)P(=O)(O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.52
FDFT1 P37268 1/20 0.52
P4HTM Q9NXG6 1/20 0.51
GCK P35557 2/20 0.46
CA9 Q16790 2/20 0.46
MMP2 P08253 1/20 0.46
MMP8 P22894 1/20 0.46
MMP14 P50281 1/20 0.46
CA14 Q9ULX7 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
RAB9A P51151 2/20 0.43
CA12 O43570 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
CYP2C19 P33261 1/20 0.43
PTGS2 P35354 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL7793618 0.83 P4HTM (0.47) P4HTMGCKMEN1KMT2ARAB9A
SCHEMBL20377232 0.81 FDPS (0.60) FDPSCA9MMP2MMP8MMP14
SCHEMBL7793628 0.77 FDPS (0.60) FDPSFDFT1CA9MMP2MMP8
SCHEMBL20377227 0.75 FDPS (0.51) FDPSFDFT1
SCHEMBL15163963 0.75 FDPS (0.62) FDPSFDFT1CA9MMP2MMP8
SCHEMBL6243281 0.74 PPARG (0.51) FDPSFDFT1
SCHEMBL1552689 0.74 P4HTM (0.54) P4HTMGCKCA9RAB9ACA12
SCHEMBL19023188 0.74 P4HTM (0.54) P4HTMGCKRAB9ALMNACYP1A2
SCHEMBL7784742 0.74 FDPS (0.68) FDPSFDFT1CA9MMP2CA12
SCHEMBL6239582 0.73 FDPS (0.50) FDPSFDFT1MEN1KMT2ALMNA

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