SCHEMBL7482168

SCHEMBL7482168

CC(C)Cc1nsc2nc3ccccc3n12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.46
TSHR P16473 2/20 0.46
CNR2 P34972 1/20 0.44
KDM4E B2RXH2 4/20 0.41
TLR7 Q9NYK1 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 1/20 0.38
ALOX5AP P20292 3/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37

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 0.84 KDM4E (0.53) MEN1KMT2ASMN1; SMN2TSHRKDM4E
SCHEMBL8671446 0.81 KDM4E (0.47) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL7475747 0.80 KDM4E (0.43) MEN1KMT2ALMNASMN1; SMN2KDM4E
SCHEMBL7481115 0.79 KDM4E (0.40) MEN1KMT2ASMN1; SMN2KDM4EHSD17B10
SCHEMBL7481859 0.77 PKM (0.41) MEN1KMT2ASMN1; SMN2KDM4EMAPK1
SCHEMBL7487032 0.77 KDM4E (0.46) MEN1KMT2ALMNASMN1; SMN2CNR2
SCHEMBL7475265 0.75 ALOX15 (0.41) MEN1KMT2ATSHRKDM4ETLR7
SCHEMBL7473852 0.75 TDP1 (0.53) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL8044065 0.74 HSD17B10 (0.47) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL7472314 0.74 KDM4E (0.36) MEN1KMT2ALMNASMN1; SMN2KDM4E

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 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
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