SCHEMBL3457428

SCHEMBL3457428

COc1cc(CNc2nc3ccccc3s2)ccc1OCc1c(F)cccc1F

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.73
NPC1 O15118 4/20 0.73
KMT2A Q03164 6/20 0.49
MAPT P10636 6/20 0.48
MEN1 O00255 5/20 0.48
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
GAA P10253 4/20 0.47
SMN1; SMN2 Q16637 5/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SSTR5 P35346 2/20 0.46
PKM P14618 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
HTT P42858 1/20 0.44
STAT3 P40763 1/20 0.44
LMNA P02545 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43

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
SCHEMBL13540671 0.90 RAB9A (0.73) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL3463497 0.87 NPC1 (0.81) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL27834920 0.85 RAB9A (1.00) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL3462569 0.83 RAB9A (0.74) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL3463191 0.80 NPC1 (0.64) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL13540759 0.74 NPC1 (0.60) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL28147012 0.74 RAB9A (0.71) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL28844162 0.72 NPC1 (0.60) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL27834924 0.72 RAB9A (0.72) RAB9ANPC1KMT2AMAPTMEN1
SCHEMBL31192457 0.71 NPC1 (0.62) RAB9ANPC1KMT2AMAPTMEN1

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-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO disclosed
WO-2010010435-A2 FUSED OXAZOLE AND THIAZOLE DERIVATIVES AS TRPMS MODULATORS GLENMARK PHARMACEUTICAL S.A. (CH) 2010-01-28 WO disclosed