SCHEMBL7473543

SCHEMBL7473543

CN(c1ccccn1)c1nsc2nc3ccccc3n12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
TP53 P04637 2/20 0.39
RAB9A P51151 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
HDAC1 Q13547 2/20 0.37
KDM4E B2RXH2 4/20 0.36
HSD17B10 Q99714 2/20 0.36
ALDH1A1 P00352 5/20 0.34
XBP1 P17861 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CSNK1A1 P48729 1/20 0.34
CLK2 P49760 1/20 0.34
LIMK1 P53667 1/20 0.34
DYRK1A Q13627 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34

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
SCHEMBL7476293 0.81 HSD17B10 (0.43) SMN1; SMN2NPC1KMT2AMEN1MAPT
SCHEMBL7484435 0.80 TSHR (0.38) SMN1; SMN2NPC1KMT2AMEN1MAPT
SCHEMBL230862 0.73 ALDH1A1 (0.51) SMN1; SMN2NPC1KMT2AMEN1MAPT
SCHEMBL7473909 0.71 CTSD (0.47) SMN1; SMN2NPC1KMT2AMEN1MAPT
SCHEMBL8044065 0.70 HSD17B10 (0.47) SMN1; SMN2NPC1KMT2AMEN1MAPT
SCHEMBL7476136 0.69 KMT2A (0.41) SMN1; SMN2NPC1KMT2AMEN1MAPT
SCHEMBL7481115 0.69 KDM4E (0.40) SMN1; SMN2NPC1KMT2AMEN1MAPT
SCHEMBL7472082 0.68 SMN1; SMN2 (0.41) SMN1; SMN2NPC1KMT2AMEN1MAPT
SCHEMBL7479423 0.68 KDM4E (0.46) SMN1; SMN2NPC1KMT2AMEN1MAPT
SCHEMBL7481507 0.67 KDM4E (0.53) SMN1; SMN2KMT2AMEN1MAPTRAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP claimed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US claimed
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP disclosed
US-6114537-A 1,2,4-THIADIAZOLE COMPOUND IS USEFUL FOR TRAPPING THIOL COMPOUNDS AND SELECTIVELY CHANGING THIOLS TO DISULFIDE COMPOUNDS APOTEX INC. (CA) 2000-09-05 US disclosed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US disclosed