SCHEMBL5746497

SCHEMBL5746497

COc1ccc(/C=C2\Sc3ccccc3NC2=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.69
RAB9A P51151 3/20 0.69
AKR1B1 P15121 3/20 0.69
PIM1 P11309 3/20 0.69
PIM2 Q9P1W9 3/20 0.69
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
MAPT P10636 2/20 0.67
HTT P42858 2/20 0.67
ALDH1A1 P00352 1/20 0.67
GAA P10253 1/20 0.67
SMN1; SMN2 Q16637 1/20 0.67
POLB P06746 2/20 0.63
CSNK2A2 P19784 1/20 0.63
CLK1 P49759 1/20 0.63
CSNK2B P67870 1/20 0.63
CSNK2A1 P68400 1/20 0.63
DYRK1A Q13627 1/20 0.63
DYRK1B Q9Y463 1/20 0.63
HPGD P15428 4/20 0.57

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
SCHEMBL5746504 1.00 NPC1 (0.69) NPC1RAB9AAKR1B1PIM1PIM2
SCHEMBL10817032 0.85 PIM1 (0.67) NPC1RAB9AAKR1B1PIM1PIM2
SCHEMBL10817027 0.85 PIM1 (0.67) NPC1RAB9AAKR1B1PIM1PIM2
SCHEMBL8085252 0.84 PIM1 (0.67) NPC1RAB9AAKR1B1PIM1PIM2
SCHEMBL8085249 0.84 PIM1 (0.67) NPC1RAB9AAKR1B1PIM1PIM2
SCHEMBL15571574 0.84 PIM1 (0.67) NPC1RAB9AAKR1B1PIM1PIM2
SCHEMBL1247708 0.82 PIM1 (1.00) NPC1RAB9AAKR1B1PIM1PIM2
SCHEMBL2546911 0.82 PIM1 (1.00) NPC1RAB9AAKR1B1PIM1PIM2
SCHEMBL1247705 0.82 PIM1 (1.00) NPC1RAB9AAKR1B1PIM1PIM2
SCHEMBL10805356 0.82 PIM1 (0.67) NPC1RAB9AAKR1B1PIM1PIM2

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-1173427-B1 HYDROXAMIC ACID DERIVATIVE DAINIPPON SUMITOMO PHARMA CO (JP) 2006-04-05 EP disclosed
US-6713477-B1 1,4-BENZTHIAZINES OR BENZOXAZINES; MATRIX METALLOPROTEINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-30 US disclosed