SCHEMBL7477865

SCHEMBL7477865

c1ccc(N2CCN(c3nsc4nc5ccccc5n34)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.52
TSHR P16473 5/20 0.52
ALDH1A1 P00352 5/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 3/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
NPSR1 Q6W5P4 2/20 0.50
FAAH O00519 1/20 0.45
MGLL Q99685 1/20 0.45
GRM2 Q14416 1/20 0.45
HTT P42858 3/20 0.44
HSD17B10 Q99714 2/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 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 0.88 ALDH1A1 (0.42) MAPTTSHRALDH1A1KDM4EHPGD
SCHEMBL7476332 0.87 ENPP1 (0.52) MAPTTSHRALDH1A1KDM4EHPGD
SCHEMBL7476811 0.87 HRH4 (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL7479088 0.86 HRH4 (0.48) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL27512533 0.86 SMN1; SMN2 (0.52) MAPTTSHRALDH1A1KDM4ESMN1; SMN2
SCHEMBL7477760 0.86 MAPT (0.56) MAPTTSHRALDH1A1KDM4EMEN1
SCHEMBL7477431 0.85 KDM4E (0.45) MAPTTSHRALDH1A1KDM4EHPGD
SCHEMBL7479370 0.84 HTR3A (0.50) ALDH1A1KDM4EHTTHSD17B10MAPK1
SCHEMBL7474757 0.84 HTR3A (0.52) MAPTALDH1A1KDM4EHPGDMEN1
SCHEMBL7477890 0.84 SMN1; SMN2 (0.47) MAPTALDH1A1KMT2ASMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP claimed
US-6093738-A IMIDAZO(1,2-D)-THIADIAZOLE COMPOUNDS; PEPTIC ULCER TREATMENT KARIMIAN KHASHAYAR (CA) 2000-07-25 US claimed
CN-1216527-A Method for scavenging mercaptan APOTEX INC (CA) 1999-05-12 CN claimed
EP-0883606-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1998-12-16 EP claimed
WO-1997031893-A1 PROCESS FOR SCAVENGING THIOLS APOTEX INC. (CA) 1997-09-04 WO claimed
EP-0883622-B1 PROTON PUMP INHIBITOR APOTEX INC (CA) 2002-05-15 EP disclosed