SCHEMBL7473909

SCHEMBL7473909

c1ccc(-c2nsc3nc4ccccc4n23)nc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSD P07339 9/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
NPC1 O15118 3/20 0.46
TP53 P04637 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
KMT2A Q03164 1/20 0.46
KDM4E B2RXH2 3/20 0.44
HSD17B10 Q99714 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
GUSB P08236 4/20 0.43
TSHR P16473 2/20 0.40

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
SCHEMBL7472319 0.85 METAP2 (0.43) NPC1TP53SMN1; SMN2RAB9AMEN1
SCHEMBL7479438 0.81 CSNK1A1 (0.40) NPC1TP53SMN1; SMN2RAB9AMEN1
SCHEMBL7480580 0.80 CSNK1A1 (0.39) NPC1TP53SMN1; SMN2RAB9ALMNA
SCHEMBL7477004 0.78 KDM4E (0.51) NPC1TP53SMN1; SMN2RAB9AMEN1
SCHEMBL8044065 0.74 HSD17B10 (0.47) NPC1TP53SMN1; SMN2RAB9AMEN1
SCHEMBL7476136 0.74 KMT2A (0.41) L3MBTL1NPC1TP53SMN1; SMN2RAB9A
SCHEMBL7472082 0.73 SMN1; SMN2 (0.41) CTSDL3MBTL1NPC1TP53SMN1; SMN2
SCHEMBL7479423 0.72 KDM4E (0.46) CTSDL3MBTL1NPC1TP53SMN1; SMN2
SCHEMBL30172357 0.72 ESR2 (0.53) CTSDL3MBTL1KDM4EHSD17B10ALDH1A1
SCHEMBL7473543 0.71 SMN1; SMN2 (0.39) CTSDL3MBTL1NPC1TP53SMN1; SMN2

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 17 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
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN claimed
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP claimed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP claimed
US-5677302-A Thiadiazole compounds useful as proton pump inhibitors APOTEX INC. (CA) 1997-10-14 US claimed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO claimed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO 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-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP disclosed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
US-5677302-A Thiadiazole compounds useful as proton pump inhibitors APOTEX INC. (CA) 1997-10-14 US disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed