SCHEMBL7784733

SCHEMBL7784733

O=P(O)(CBr)ONc1ccc(Cl)nc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 17/20 0.42
KCNQ2 O43526 17/20 0.42
KCNE1 P15382 11/20 0.42
KCNQ1 P51787 11/20 0.42
BACE1 P56817 1/20 0.41
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL7794284 0.80 KCNQ3 (0.45) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL7794281 0.70 KCNQ3 (0.47) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL7784731 0.68 FDFT1 (0.50) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL5618326 0.67 ALDH1A1 (0.57) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL7794868 0.67 FDFT1 (0.66) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL27594027 0.64 MMP2 (0.44) SMN1; SMN2ALDH1A1MEN1LMNAKMT2A
SCHEMBL22862348 0.64
SCHEMBL6361424 0.63 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL30568974 0.63 KCNQ3 (0.64) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL2436172 0.62 KCNQ3 (0.67) KCNQ3KCNQ2KCNE1KCNQ1BACE1

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 3 patents. 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 disclosed
US-6083938-A TREATING BONE DISEASES SELECTED FROM THE GROUP CONSISTING OF OSTEOLYTIC BONE DISEASES DUE TO MALIGNANCY, PAGET'S DISEASE AND PRIMARY AND SECONDARY OSTEOPOROSIS LEIRAS OY (FI) 2000-07-04 US disclosed
US-5866556-A BONE DISORDERS LEIRAS OY (FI) 1999-02-02 US disclosed