SCHEMBL3463191

SCHEMBL3463191

COc1cc(CNc2nc3cc(F)ccc3s2)ccc1OCc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
MRGPRX1 Q96LB2 3/20 0.51
KMT2A Q03164 5/20 0.48
MEN1 O00255 4/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
F2 P00734 1/20 0.48
F10 P00742 1/20 0.48
PRSS1 P07477 1/20 0.48
F7 P08709 1/20 0.48
LMNA P02545 2/20 0.48
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
TP53 P04637 1/20 0.47
GAA P10253 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
BCHE P06276 1/20 0.46

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
SCHEMBL3463497 0.89 NPC1 (0.81) NPC1RAB9AMRGPRX1KMT2AMEN1
SCHEMBL3457428 0.80 RAB9A (0.73) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13540671 0.80 RAB9A (0.73) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL13540759 0.80 NPC1 (0.60) NPC1RAB9AMRGPRX1KMT2AMEN1
SCHEMBL27834920 0.79 RAB9A (1.00) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3462569 0.77 RAB9A (0.74) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL5114841 0.75 LMNA (0.67) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL21667956 0.74 FFAR1 (0.58) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL31192466 0.73 MRGPRX1 (0.74) NPC1RAB9AMRGPRX1KMT2AMEN1
SCHEMBL31192457 0.73 NPC1 (0.62) NPC1RAB9AKMT2AMEN1SMN1; SMN2

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