SCHEMBL7474969

SCHEMBL7474969

COC(=O)c1ccc(-c2nsc3nc4ccccc4n23)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.54
TBXA2R P21731 4/20 0.54
ALDH1A1 P00352 5/20 0.49
HPGD P15428 4/20 0.49
KDM4E B2RXH2 3/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
LMNA P02545 2/20 0.49
FGFR1 P11362 1/20 0.49
PKM P14618 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
HSD17B10 Q99714 3/20 0.46
CNR2 P34972 1/20 0.46
TNKS O95271 1/20 0.46
CASP1 P29466 1/20 0.46
MAPT P10636 3/20 0.46
POLB P06746 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
SCHEMBL7477004 0.80 KDM4E (0.51) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL7485473 0.79 ALDH1A1 (0.49) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1
SCHEMBL3497345 0.78 DRD2 (0.62) DRD2TBXA2RALDH1A1HPGDKDM4E
SCHEMBL28596201 0.75 DRD2 (0.71) DRD2TBXA2RALDH1A1HPGDKDM4E
SCHEMBL6439134 0.75 ESR2 (0.66) DRD2TBXA2RALDH1A1HPGDKDM4E
SCHEMBL6441068 0.74 CNR2 (0.62) DRD2TBXA2RALDH1A1HPGDKDM4E
SCHEMBL28600078 0.73 DRD2 (0.69) DRD2TBXA2RALDH1A1HPGDKDM4E
SCHEMBL3724649 0.73 POLB (0.70) DRD2TBXA2RALDH1A1HPGDKDM4E
SCHEMBL28597103 0.71 DRD2 (0.66) DRD2TBXA2RALDH1A1HPGDKDM4E
SCHEMBL7486172 0.71 KDM4E (0.53) ALDH1A1HPGDKDM4ESMN1; SMN2NPC1

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
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
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
WO-1997031923-A1 PROTON PUMP INHIBITOR APOTEX INC. (CA) 1997-09-04 WO disclosed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO disclosed