SCHEMBL7794281

SCHEMBL7794281

O=P(O)(O)CNc1ccc(Cl)nc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 15/20 0.47
KCNQ2 O43526 15/20 0.47
KCNE1 P15382 12/20 0.47
KCNQ1 P51787 12/20 0.47
BACE1 P56817 1/20 0.46
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
TNF P01375 1/20 0.40
MAPT P10636 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
SCHEMBL7794868 0.76 FDFT1 (0.66) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL19796165 0.74 KCNQ3 (0.44) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL7784731 0.73 FDFT1 (0.50) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL7662714 0.73 RRM2 (0.44) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL17604124 0.73 KCNQ3 (0.46) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL4442545 0.72 ADRA2A (0.49) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL19796124 0.71 MAPT (0.46) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL25191294 0.71 KCNQ3 (0.50) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL7784733 0.70 KCNQ3 (0.42) KCNQ3KCNQ2KCNE1KCNQ1BACE1
SCHEMBL7794284 0.70 KCNQ3 (0.45) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1077792-C Pyridyl bisphosphonates for use as therapeutic agents LEIRAS OY (FI) 2002-01-16 CN disclosed
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
CN-1149830-A Pyridylbisphosphonates for use as therapeutical agent LEIRAS OY (FI) 1997-05-14 CN disclosed
EP-0762883-A1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 1997-03-19 EP disclosed
WO-1995033466-A1 PYRIDYLBISPHOSPHONATES FOR USE AS A THERAPEUTICAL AGENT LEIRAS OY (FI) 1995-12-14 WO disclosed