SCHEMBL17189484

SCHEMBL17189484

C=C(CC(NCc1ccccc1)C(F)F)OCC

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
PPID Q08752 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
TACR1 P25103 1/20 0.37
MAPT P10636 3/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MMP8 P22894 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
EPHX2 P34913 1/20 0.36
PPARG P37231 1/20 0.36
NAMPT P43490 1/20 0.35
LMNA P02545 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL83759 0.83 PPID (0.51) SMN1; SMN2PPIDMAPTMEN1KMT2A
SCHEMBL11080136 0.72 SMN1; SMN2 (0.46) SMN1; SMN2PPIDMAPTMEN1KMT2A
SCHEMBL21582056 0.72 SIGMAR1 (0.44) SMN1; SMN2SIGMAR1MAPTPOLBMEN1
SCHEMBL21582057 0.72 SIGMAR1 (0.44) SMN1; SMN2SIGMAR1MAPTPOLBMEN1
SCHEMBL23715369 0.71 SMN1; SMN2 (0.54) SMN1; SMN2PPIDMAPTMEN1KMT2A
SCHEMBL4849475 0.70 PPID (0.52) SMN1; SMN2PPIDSIGMAR1MAPTMEN1
SCHEMBL10965351 0.69 SIGMAR1 (0.42) SMN1; SMN2SIGMAR1MAPTPOLBMEN1
SCHEMBL11241912 0.69 PPID (0.50) SMN1; SMN2PPIDMAPTMEN1KMT2A
SCHEMBL7851021 0.68 SMN1; SMN2 (0.54) SMN1; SMN2PPIDMAPTPOLBMEN1
SCHEMBL28079753 0.68 ALDH1A1 (0.44) SMN1; SMN2PPIDMAPTPOLBMEN1

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-2091926-B1 SUBSTITUTED PYRAZOLE AND TRIAZOLE COMPOUNDS AS KSP INHIBITORS NOVARTIS AG (CH) 2015-10-21 EP disclosed