SCHEMBL3944486

SCHEMBL3944486

CCc1cc(O)cc2sc(N)nc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD1 Q96L73 2/20 0.46
HTT P42858 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
NSD2 O96028 1/20 0.41
NSD3 Q9BZ95 1/20 0.41
ALDH1A1 P00352 5/20 0.41
PDPK1 O15530 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.39
CYP3A4 P08684 3/20 0.36
TP53 P04637 2/20 0.36
TSHR P16473 2/20 0.36
ESR1 P03372 1/20 0.35
ESR2 Q92731 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
SCHEMBL11698907 0.81 HSD17B10 (0.64) NSD1HTTHSD17B10GAAMAPT
SCHEMBL2652019 0.80 CYP2C19 (0.44) NSD1HSD17B10GAAMAPTSMN1; SMN2
SCHEMBL5530542 0.77 HSD17B10 (0.68) NSD1HTTHSD17B10GAAL3MBTL1
SCHEMBL10612158 0.77 NPC1 (0.43) NSD1HSD17B10GAAMAPTSMN1; SMN2
Methane SCHEMBL10611769 0.77 NPC1 (0.43) NSD1HSD17B10GAAMAPTSMN1; SMN2
SCHEMBL8548188 0.76 RAB9A (0.51) NSD1HTTHSD17B10GAAL3MBTL1
SCHEMBL20319227 0.73 CYP3A4 (0.57) NSD1HTTHSD17B10GAAL3MBTL1
SCHEMBL8548182 0.73 DRD2 (0.41) NSD1HTTHSD17B10GAAL3MBTL1
SCHEMBL201830 0.72 ALDH1A1 (0.61) HSD17B10MAPTSMN1; SMN2RAB9ANPC1
SCHEMBL19783109 0.72 NSD1 (0.42) NSD1HTTHSD17B10GAAL3MBTL1

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
EP-2010528-A2 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING Novartis Pharma AG (CH) 2009-01-07 EP disclosed
WO-2007121484-A2 6-O-SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE COMPOUNDS AND METHODS OF INHIBITING CSF-1R SIGNALING NOVARTIS AG (CH) 2007-10-25 WO disclosed