SCHEMBL20161301

SCHEMBL20161301

CCOC(=O)c1n[nH]c(C(=N)c2cccnc2NCc2ccccc2F)n1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.55
SLC26A6 Q9BXS9 11/20 0.52
LMNA P02545 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 1/20 0.39
GLA P06280 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL20161291 0.82 LMNA (0.39) SMN1; SMN2SLC26A6LMNAMEN1KMT2A
SCHEMBL20161209 0.80 AURKA (0.40) SMN1; SMN2LMNAMEN1KMT2AHTT
SCHEMBL20149081 0.79 KDM4E (0.38) SMN1; SMN2LMNAMEN1KMT2ANPC1
SCHEMBL20161113 0.77 RPS6KB1 (0.41) LMNAMEN1KMT2AHTTNPC1
SCHEMBL20161518 0.75 CASP6 (0.43) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL20161268 0.75 ACHE (0.36) LMNAMEN1KMT2A
SCHEMBL20161118 0.74 CSNK1D (0.46) SMN1; SMN2HTT
SCHEMBL22874060 0.73 AURKA (0.43) SMN1; SMN2SLC26A6LMNAMEN1KMT2A
SCHEMBL20161340 0.73 CYP11B1 (0.35) SMN1; SMN2LMNAMEN1KMT2AHTT
SCHEMBL20161335 0.72 KDM4E (0.37) SMN1; SMN2LMNAMEN1KMT2AHTT

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-2018089330-A2 SGC STIMULATORS IRONWOOD PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed