SCHEMBL7475747

SCHEMBL7475747

BrCc1nsc2nc3ccccc3n12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.43
HSD17B10 Q99714 4/20 0.43
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
TP53 P04637 4/20 0.39
HPGD P15428 4/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CSNK1A1 P48729 1/20 0.37
CLK2 P49760 1/20 0.37
LIMK1 P53667 1/20 0.37
DYRK1A Q13627 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
DYRK1B Q9Y463 1/20 0.37
ENPP1 P22413 1/20 0.35
HTR2C P28335 1/20 0.35
LMNA P02545 3/20 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
SCHEMBL7481507 0.85 KDM4E (0.53) KDM4EHSD17B10SMN1; SMN2RAB9AHPGD
SCHEMBL7481859 0.81 PKM (0.41) KDM4EHSD17B10SMN1; SMN2HPGDMAPT
SCHEMBL7481115 0.80 KDM4E (0.40) KDM4EHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL7482168 0.80 MEN1 (0.48) KDM4EHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL7475265 0.79 ALOX15 (0.41) KDM4EHSD17B10HPGDMAPTMEN1
SCHEMBL7007238 0.78 KDM4E (0.46) KDM4EHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL7477413 0.77 PDE4A (0.43) KDM4ESMN1; SMN2NPC1RAB9AHPGD
SCHEMBL8672672 0.77 MEN1 (0.39) KDM4EHSD17B10SMN1; SMN2NPC1RAB9A
SCHEMBL8671446 0.76 KDM4E (0.47) KDM4EHSD17B10SMN1; SMN2HPGDMAPT
SCHEMBL8672671 0.75 KDM4E (0.34) KDM4EHSD17B10SMN1; SMN2NPC1RAB9A

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 8 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
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN 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
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN disclosed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed