SCHEMBL7473852

SCHEMBL7473852

CC(O)c1nsc2nc3ccccc3n12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.45
TSHR P16473 5/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 1/20 0.44
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
CXCR3 P49682 1/20 0.39

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
SCHEMBL7487032 0.88 KDM4E (0.46) TDP1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL8671446 0.79 KDM4E (0.47) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL7479334 0.77 KDM4E (0.46) MEN1KMT2ASMN1; SMN2TP53TSHR
SCHEMBL8044065 0.76 HSD17B10 (0.47) MEN1KMT2ASMN1; SMN2TP53TSHR
SCHEMBL7482168 0.75 MEN1 (0.48) MEN1KMT2ASMN1; SMN2TSHRALDH1A1
SCHEMBL7476196 0.75 KDM4E (0.40) TDP1MEN1KMT2ASMN1; SMN2TP53
SCHEMBL7486338 0.74 KDM4E (0.47) MEN1KMT2ASMN1; SMN2TP53TSHR
SCHEMBL7484099 0.74 ADORA3 (0.43) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL7481366 0.73 MEN1 (0.44) MEN1KMT2ASMN1; SMN2TP53ALDH1A1
SCHEMBL7481507 0.73 KDM4E (0.53) MEN1KMT2ASMN1; SMN2TSHRALDH1A1

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 7 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
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