SCHEMBL3463497

SCHEMBL3463497

COc1cc(CNc2nc3ccccc3s2)ccc1OCc1ccccc1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.81
RAB9A P51151 6/20 0.81
MRGPRX1 Q96LB2 3/20 0.55
KMT2A Q03164 4/20 0.52
MEN1 O00255 3/20 0.52
LMNA P02545 2/20 0.52
F2 P00734 1/20 0.52
F10 P00742 1/20 0.52
PRSS1 P07477 1/20 0.52
F7 P08709 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
TP53 P04637 1/20 0.51
GAA P10253 1/20 0.51
ALOX12 P18054 1/20 0.51
MAPK1 P28482 1/20 0.51
SSTR5 P35346 1/20 0.50

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
SCHEMBL27834920 0.90 RAB9A (1.00) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL3463191 0.89 NPC1 (0.64) NPC1RAB9AMRGPRX1KMT2AMEN1
SCHEMBL3462569 0.88 RAB9A (0.74) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL13540671 0.87 RAB9A (0.73) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL3457428 0.87 RAB9A (0.73) NPC1RAB9AKMT2AMEN1LMNA
SCHEMBL13540759 0.86 NPC1 (0.60) NPC1RAB9AMRGPRX1KMT2AMEN1
SCHEMBL31192457 0.83 NPC1 (0.62) NPC1RAB9AKMT2AMEN1LMNA
Hydrochloric Acid SCHEMBL3463587 0.78 RAB9A (0.50) NPC1RAB9AMRGPRX1KMT2AMEN1
SCHEMBL28147012 0.78 RAB9A (0.71) NPC1RAB9AKMT2AMEN1SMN1; SMN2
SCHEMBL1119508 0.77 KDM4E (0.62) NPC1RAB9AKMT2AMEN1LMNA

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