SCHEMBL7470768

SCHEMBL7470768

Ic1nsc2nc3ccccc3n12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
HSD17B10 Q99714 5/20 0.46
ENPP1 P22413 3/20 0.40
CSNK1A1 P48729 1/20 0.40
CLK2 P49760 1/20 0.40
LIMK1 P53667 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
SMN1; SMN2 Q16637 8/20 0.38
TP53 P04637 5/20 0.38
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
MAPT P10636 6/20 0.37
HPGD P15428 5/20 0.37
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPK1 P28482 4/20 0.37
ALDH1A1 P00352 4/20 0.37
LMNA P02545 3/20 0.37

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
SCHEMBL7474031 0.79 DYRK1A (0.51) KDM4EHSD17B10CSNK1A1CLK2LIMK1
SCHEMBL8044065 0.79 HSD17B10 (0.47) KDM4EHSD17B10ENPP1CSNK1A1CLK2
SCHEMBL7475534 0.79 SMN1; SMN2 (0.47) KDM4EHSD17B10CSNK1A1CLK2LIMK1
SCHEMBL7007238 0.79 KDM4E (0.46) KDM4EHSD17B10ENPP1CSNK1A1CLK2
SCHEMBL7477004 0.76 KDM4E (0.51) KDM4EHSD17B10SMN1; SMN2TP53NPC1
SCHEMBL7481507 0.76 KDM4E (0.53) KDM4EHSD17B10SMN1; SMN2RAB9AMAPT
SCHEMBL7476293 0.75 HSD17B10 (0.43) KDM4EHSD17B10ENPP1CSNK1A1CLK2
SCHEMBL7482369 0.75 HSD17B10 (0.43) KDM4EHSD17B10CSNK1A1CLK2LIMK1
SCHEMBL7474625 0.75 HSD17B10 (0.46) KDM4EHSD17B10SMN1; SMN2TP53NPC1
SCHEMBL7478966 0.75 HSD17B10 (0.43) KDM4EHSD17B10CSNK1A1CLK2LIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-5677302-A Thiadiazole compounds useful as proton pump inhibitors APOTEX INC. (CA) 1997-10-14 US disclosed