SCHEMBL7473475

SCHEMBL7473475

O=C(c1ccccc1)c1nsc2nccn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
KMT2A Q03164 2/20 0.41
F13A1 P00488 2/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
TNK2 Q07912 2/20 0.36

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
SCHEMBL7474047 0.82 KMT2A (0.46) ALDH1A1KMT2AF13A1KDM4ETSHR
SCHEMBL7473176 0.75 F13A1 (0.38) ALDH1A1KMT2AF13A1KDM4ECYP3A4
SCHEMBL7533418 0.75 TDP1 (0.45) ALDH1A1KMT2AKDM4ETSHRRAB9A
SCHEMBL1045991 0.70 SMN1; SMN2 (0.58) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL1666966 0.69 ALDH1A1 (0.50) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL7481374 0.68 ALDH1A1 (0.42) ALDH1A1KMT2AMEN1KDM4ENPC1
SCHEMBL27265888 0.67 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL15678571 0.67 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1KDM4ETSHR
SCHEMBL5851274 0.66 RAB9A (0.53) ALDH1A1KMT2AMEN1TSHRNPC1
SCHEMBL7476084 0.63

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 14 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
EP-0883622-A1 PROTON PUMP INHIBITOR 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