SCHEMBL6681003

SCHEMBL6681003

NNS(=O)(=O)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.63
PGR P06401 4/20 0.61
FFAR1 O14842 2/20 0.57
FFAR4 Q5NUL3 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
ALDH1A1 P00352 2/20 0.56
LMNA P02545 4/20 0.55
KDM4E B2RXH2 2/20 0.55
HTT P42858 2/20 0.55
ADAMTS4 O75173 1/20 0.54
MMP1 P03956 1/20 0.54
MMP2 P08253 1/20 0.54
MMP13 P45452 1/20 0.54
MMP14 P50281 1/20 0.54
MEP1B Q16820 1/20 0.54
ADAMTS5 Q9UNA0 1/20 0.54
CA1 P00915 2/20 0.53
CA2 P00918 2/20 0.53
CA9 Q16790 2/20 0.53
BCL2L1 Q07817 1/20 0.53

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
SCHEMBL36774 0.92 SMN1; SMN2 (0.63) SOS1PGRFFAR1FFAR4SMN1; SMN2
Diphenylether SCHEMBL11224503 0.91 MAOA (0.57) SOS1PGRFFAR1FFAR4SMN1; SMN2
SCHEMBL11844270 0.83 ALDH1A1 (0.54) SOS1PGRSMN1; SMN2ALDH1A1LMNA
SCHEMBL7149973 0.83 FFAR1 (0.59) FFAR1SMN1; SMN2ALDH1A1LMNAHTT
SCHEMBL18261208 0.81 SMN1; SMN2 (0.49) SOS1PGRSMN1; SMN2ALDH1A1LMNA
SCHEMBL11400434 0.81 SMN1; SMN2 (0.49) SOS1PGRFFAR1FFAR4SMN1; SMN2
SCHEMBL1109 0.81 CA1 (0.58) SMN1; SMN2ALDH1A1LMNAKDM4EMMP1
SCHEMBL30724544 0.81 CA1 (0.58) SMN1; SMN2ALDH1A1LMNAKDM4EMMP1
SCHEMBL618590 0.81 LMNA (0.85) SOS1PGRFFAR1FFAR4SMN1; SMN2
SCHEMBL10768121 0.80 PGR (0.65) SOS1PGRFFAR1FFAR4SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004058238-A1 USE OF CATHEPSIN K INHIBITORS FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2004-07-15 WO claimed
WO-2004058238-A1 USE OF CATHEPSIN K INHIBITORS FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2004-07-15 WO disclosed