SCHEMBL9686869

SCHEMBL9686869

CC(C)(C[O])c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NPC1 O15118 1/20 0.41
MAPT P10636 1/20 0.41
XBP1 P17861 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KCNN4 O15554 3/20 0.40
HSD11B1 P28845 1/20 0.39
ALDH1A1 P00352 2/20 0.37
ACHE P22303 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SHBG P04278 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL780298 0.78 NPC1 (0.48) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL13539167 0.76 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL26764530 0.76 SHBG (0.61) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL4662645 0.76 SMN1; SMN2 (0.37) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL1619364 0.76 TAAR1 (0.60) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL186541 0.76 CNR1 (0.42) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL7039179 0.76 MEN1 (0.50) SMN1; SMN2MEN1KMT2ANPC1MAPK1
SCHEMBL5781869 0.76 RAB9A (0.38) SMN1; SMN2MEN1KMT2ANPC1MAPT
SCHEMBL9686932 0.76 KCNN4 (0.40) SMN1; SMN2NPC1MAPK1RAB9AKCNN4
SCHEMBL2313147 0.75 TAAR1 (0.58) KMT2AMAPTMAPK1HTTKCNN4

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-0511879-A1 Pyrazine derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-04 EP disclosed