SCHEMBL7533418

SCHEMBL7533418

O=C(OCc1ccccc1)c1nsc2nccn12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
POLB P06746 1/20 0.45
LMNA P02545 2/20 0.44
JMJD6 Q6NYC1 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
TSHR P16473 2/20 0.42
RAB9A P51151 2/20 0.42
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MAOB P27338 1/20 0.42
ADORA2A P29274 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ALDH1A1 P00352 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7534216 0.77 JMJD6 (0.40) TDP1KMT2ASLC6A2LMNAJMJD6
SCHEMBL7882044 0.75 JMJD6 (0.52) TDP1KMT2ASLC6A2SLC6A3POLB
SCHEMBL7473475 0.75 ALDH1A1 (0.44) TDP1KMT2ALMNAL3MBTL1TSHR
SCHEMBL25893352 0.73 TDP1 (0.47) TDP1KMT2ASLC6A2SLC6A3POLB
SCHEMBL4857159 0.73 L3MBTL1 (0.50) TDP1KMT2ASLC6A2SLC6A3POLB
SCHEMBL24070239 0.72 TDP1 (0.46) TDP1KMT2ASLC6A2SLC6A3POLB
SCHEMBL7479483 0.72 TDP1 (0.43) TDP1KMT2ASLC6A2SLC6A3POLB
SCHEMBL5648210 0.70 SMN1; SMN2 (0.45) TDP1KMT2ASLC6A2SLC6A3POLB
SCHEMBL28740303 0.69 JMJD6 (0.44) TDP1KMT2ASLC6A2SLC6A3POLB
SCHEMBL2152994 0.69 L3MBTL1 (0.49) TDP1KMT2ASLC6A2SLC6A3POLB

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 4 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
US-5677302-A Thiadiazole compounds useful as proton pump inhibitors APOTEX INC. (CA) 1997-10-14 US disclosed