SCHEMBL7472884

SCHEMBL7472884

O=C(c1nsc2nc3ccccc3n12)N1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
MGLL Q99685 1/20 0.51
GRIN2B Q13224 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM4E B2RXH2 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HTT P42858 1/20 0.49
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
LMNA P02545 1/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
NPC1 O15118 2/20 0.48
SIGMAR1 Q99720 1/20 0.47
RAB9A P51151 1/20 0.47
PRKAB2 O43741 1/20 0.46
PRKAG1 P54619 1/20 0.46
PRKAA2 P54646 1/20 0.46
PRKAA1 Q13131 1/20 0.46

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
SCHEMBL7477326 0.82 MEN1 (0.52) FAAHMGLLGRIN2BALDH1A1KDM4E
SCHEMBL7474094 0.82 HRH4 (0.48) ALDH1A1SMN1; SMN2HTTMEN1KMT2A
SCHEMBL7474757 0.80 HTR3A (0.52) FAAHMGLLALDH1A1KDM4EMEN1
SCHEMBL27512535 0.80 SIGMAR1 (0.46) SIGMAR1
SCHEMBL7486359 0.77 NPC1 (0.45) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7471965 0.76 ALDH1A1 (0.56) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7483925 0.76 KDM4E (0.43) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL8034975 0.75 KDM4E (0.42) ALDH1A1KDM4ESMN1; SMN2MEN1KMT2A
SCHEMBL7479483 0.74 TDP1 (0.43) ALDH1A1KDM4ESMN1; SMN2HTTMEN1
SCHEMBL7469069 0.72 MAOA (0.51) ALDH1A1KDM4ESMN1; SMN2HTTMEN1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN claimed
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
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN disclosed
EP-0883622-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed