SCHEMBL7484305

SCHEMBL7484305

COC(=O)c1nsc2nccn12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 4/20 0.38
HTT P42858 1/20 0.36
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 3/20 0.34
JMJD6 Q6NYC1 1/20 0.33
GRM5 P41594 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP1 P29466 1/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 1/20 0.32
NOTUM Q6P988 1/20 0.32
CGAS Q8N884 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7480600 0.83 JMJD6 (0.37) F13A1ALDH1A1KDM4EHPGDJMJD6
SCHEMBL7481374 0.83 ALDH1A1 (0.42) HTTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL7473176 0.81 F13A1 (0.38) F13A1ALDH1A1KDM4EKMT2A
SCHEMBL7534216 0.80 JMJD6 (0.40) F13A1ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL7540846 0.78 TSHR (0.41) ALDH1A1KDM4ESMN1; SMN2HPGDHSD17B10
SCHEMBL7541603 0.77 TSHR (0.42) ALDH1A1KDM4ETP53MAPTTSHR
SCHEMBL7533418 0.74 TDP1 (0.45) ALDH1A1KDM4ESMN1; SMN2HPGDJMJD6
SCHEMBL7473475 0.71 ALDH1A1 (0.44) F13A1ALDH1A1KDM4ESMN1; SMN2MAPT
SCHEMBL275779 0.70 GRM5 (0.43) HTTALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL4507398 0.69 SMN1; SMN2 (0.47) HTTALDH1A1KDM4ESMN1; SMN2JMJD6

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 6 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
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