SCHEMBL7485545

SCHEMBL7485545

CCCCOc1nsc2nc3ccccc3n12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
LMNA P02545 1/20 0.45
NPY1R P25929 1/20 0.45
NPY2R P49146 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TLR7 Q9NYK1 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
HTT P42858 2/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
PDE2A O00408 2/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
MGAM O43451 1/20 0.40
AMY1A P0DUB6 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
TLR8 Q9NR97 4/20 0.40

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
SCHEMBL7478340 0.93 ALDH1A1 (0.40) ALDH1A1LMNANPY1RNPY2RL3MBTL1
SCHEMBL7473993 0.87 ADORA3 (0.41) ALDH1A1TLR7SMN1; SMN2TP53MAPK1
SCHEMBL7478966 0.80 HSD17B10 (0.43) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL7479695 0.79 TSHR (0.46) ALDH1A1LMNAL3MBTL1SMN1; SMN2TP53
SCHEMBL7486557 0.77 SMN1; SMN2 (0.43) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL8046841 0.77 LTA4H (0.47) LMNAL3MBTL1TSHRPDE2AGAA
SCHEMBL7476196 0.76 KDM4E (0.40) ALDH1A1LMNASMN1; SMN2HTTTP53
SCHEMBL7481507 0.75 KDM4E (0.53) ALDH1A1SMN1; SMN2TSHRMAPK1KMT2A
SCHEMBL7477413 0.73 PDE4A (0.43) ALDH1A1TLR7SMN1; SMN2HTTKMT2A
SCHEMBL8034969 0.72 SMN1; SMN2 (0.40) ALDH1A1LMNASMN1; SMN2TP53TSHR

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 5 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-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed