SCHEMBL7476471

SCHEMBL7476471

N#Cn1c(S)nc2ccccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
ALDH1A1 P00352 6/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
KDM4E B2RXH2 4/20 0.38
NPSR1 Q6W5P4 3/20 0.38
POLB P06746 3/20 0.38
MAPT P10636 2/20 0.38
GLA P06280 2/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
NOS2 P35228 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
KLK7 P49862 1/20 0.36
ATM Q13315 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MDM2 Q00987 1/20 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
SCHEMBL22529448 0.77 SMN1; SMN2 (0.55) LMNAALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL251066 0.77 PSMB8 (0.40) LMNAALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL10989399 0.74 KDM4E (0.50) LMNAALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL11161989 0.72 SMN1; SMN2 (0.43) LMNAALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL23731899 0.71 SMN1; SMN2 (0.42) LMNAALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL10813449 0.71 SMN1; SMN2 (0.42) LMNAALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL8910180 0.70 KDM4E (0.51) LMNAALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL30336869 0.70 KDM4E (0.51) LMNAALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL30336557 0.70 RAB9A (0.41) LMNAALDH1A1SMN1; SMN2KDM4ENPSR1
SCHEMBL28604710 0.70 RAB9A (0.41) LMNAALDH1A1SMN1; SMN2KDM4ENPSR1

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 9 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
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