SCHEMBL9175652

SCHEMBL9175652

N#CCC(CC(P(=O)(O)O)P(=O)(O)O)c1cccnc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.48
KCNA5 P22460 5/20 0.38
KCNN4 O15554 4/20 0.38
CYP19A1 P11511 1/20 0.38
GRM8 O00222 1/20 0.38
GRM4 Q14833 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
CTSL P07711 1/20 0.36
CTSS P25774 1/20 0.36
CTSK P43235 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CFTR P13569 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
GOPC Q9HD26 1/20 0.35

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
SCHEMBL8831743 0.81 POLB (0.38) KCNA5KCNN4CYP19A1SMN1; SMN2CTSL
SCHEMBL6344248 0.81 CYP19A1 (0.50) KCNA5KCNN4CYP19A1SMN1; SMN2LMNA
SCHEMBL4452256 0.71 SMN1; SMN2 (0.50) KCNA5CYP19A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL4452260 0.71 SMN1; SMN2 (0.50) KCNA5CYP19A1SMN1; SMN2LMNAL3MBTL1
SCHEMBL9173752 0.69 CYP2A6 (0.53) FDPS
SCHEMBL12303932 0.68 CYP19A1 (0.47) KCNA5CYP19A1SMN1; SMN2CTSLCTSS
SCHEMBL128718 0.68 CFTR (0.53) KCNA5KCNN4CYP19A1SMN1; SMN2CFTR
SCHEMBL5666093 0.68 PGK1 (0.57) FDPSKCNA5KCNN4GRM8GRM4
SCHEMBL4443428 0.67 FDPS (0.50) FDPSKCNA5KCNN4GRM8GRM4
SCHEMBL9218051 0.67 FDPS (0.46) FDPSKCNA5KCNN4GRM8GRM4

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