SCHEMBL7479370

SCHEMBL7479370

c1ccc2c(c1)nc1snc(N3CCNCC3)n12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 10/20 0.50
HTR3E A5X5Y0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
HTR3B O95264 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
HTR2C P28335 1/20 0.42
MAPK1 P28482 1/20 0.42
SLC6A4 P31645 1/20 0.42
HTR7 P34969 1/20 0.42
HTT P42858 1/20 0.42
HTR6 P50406 1/20 0.42
PMP22 Q01453 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL7477347 0.87 ALDH1A1 (0.42) KDM4EALDH1A1CYP1A2MAPK1HSD17B10
SCHEMBL7477865 0.84 MAPT (0.52) HTR3AHTR3EKDM4EHTR3BALDH1A1
SCHEMBL7476811 0.83 HRH4 (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7476332 0.83 ENPP1 (0.52) KDM4EALDH1A1
Hydrochloric Acid SCHEMBL7479088 0.82 HRH4 (0.48) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL7477431 0.81 KDM4E (0.45) KDM4EALDH1A1HTR1AHTR7HTT
SCHEMBL7477890 0.80 SMN1; SMN2 (0.47) ALDH1A1CYP1A2HTT
SCHEMBL7472331 0.79 MEN1 (0.48) ALDH1A1CYP1A2HTT
SCHEMBL7479275 0.79 TSHR (0.50) KDM4EALDH1A1MAPK1HSD17B10
SCHEMBL7474757 0.78 HTR3A (0.52) HTR3AHTR3EKDM4EHTR3BALDH1A1

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 9 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
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
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP disclosed
US-5677302-A Thiadiazole compounds useful as proton pump inhibitors APOTEX INC. (CA) 1997-10-14 US 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