SCHEMBL3707073

SCHEMBL3707073

C[Si](C)(C)c1ccc(NC(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 2/20 0.52
TP53 P04637 2/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 2/20 0.52
NPC1 O15118 1/20 0.52
ALDH1A1 P00352 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 3/20 0.52
PANK3 Q9H999 2/20 0.50
HTT P42858 1/20 0.50
RBP4 P02753 1/20 0.50
CA12 O43570 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL3709422 0.92 LMNA (0.53) MAPTSMN1; SMN2LMNATP53GAA
SCHEMBL3710143 0.87 SMN1; SMN2 (0.65) MAPTSMN1; SMN2LMNAGAAMAPK1
SCHEMBL3714314 0.81 TRPV1 (0.60) SMN1; SMN2LMNAGAAMAPK1TRPV1
SCHEMBL3716459 0.80 P2RY12 (0.60) MAPTLMNATRPV1POLBALDH1A1
SCHEMBL3785663 0.79 MAPT (0.67) MAPTSMN1; SMN2LMNATP53GAA
SCHEMBL13234941 0.77 SMN1; SMN2 (0.68) SMN1; SMN2LMNAGAAMAPK1TRPV1
SCHEMBL3713332 0.76 MEN1 (0.59) MAPTSMN1; SMN2GAATRPV1POLB
SCHEMBL3716149 0.76 POLB (0.75) MAPTSMN1; SMN2TP53MAPK1TRPV1
SCHEMBL3710357 0.76 TRPV1 (0.74) TRPV1
SCHEMBL3781732 0.75 CA12 (0.71) MAPTSMN1; SMN2LMNAGAAMAPK1

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
WO-2010092342-A1 ORGANOSILICON COMPOUNDS AND THEIR USE AS THE MODULATORS OF THE TRPV1 RECEPTOR TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 WO disclosed