SCHEMBL7478340

SCHEMBL7478340

CCCOc1nsc2nc3ccccc3n12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
KDM4E B2RXH2 3/20 0.38
HSD17B10 Q99714 2/20 0.38
TLR7 Q9NYK1 3/20 0.38
HPGD P15428 3/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 2/20 0.37
TLR8 Q9NR97 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
APOBEC3G Q9HC16 1/20 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
SCHEMBL7485545 0.93 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL7473993 0.89 ADORA3 (0.41) ALDH1A1SMN1; SMN2KDM4EHSD17B10TLR7
SCHEMBL7478966 0.81 HSD17B10 (0.43) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL7486557 0.78 SMN1; SMN2 (0.43) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL8046841 0.78 LTA4H (0.47) LMNATSHRKDM4EHSD17B10HPGD
SCHEMBL7476196 0.77 KDM4E (0.40) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL7481507 0.76 KDM4E (0.53) ALDH1A1SMN1; SMN2TSHRKDM4EHSD17B10
SCHEMBL8034969 0.73 SMN1; SMN2 (0.40) ALDH1A1SMN1; SMN2LMNATSHRNPSR1
SCHEMBL9285258 0.72 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNATSHRHTT
SCHEMBL8044065 0.72 HSD17B10 (0.47) ALDH1A1SMN1; SMN2LMNATSHRHTT

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 3 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