SCHEMBL8558765

SCHEMBL8558765

CN1CC=CC=C1CCNc1nsc2nc3ccccc3n12

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PDE10A Q9Y233 1/20 0.34
TSHR P16473 4/20 0.33
SMN1; SMN2 Q16637 5/20 0.33
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.32
MAPK1 P28482 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
ALPL P05186 1/20 0.31
ALPG P10696 1/20 0.31
HRH4 Q9H3N8 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL7477152 0.75 KDM4E (0.40) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL8044732 0.73 KDM4E (0.52) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL7482369 0.71 HSD17B10 (0.43) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL7473547 0.67 ALDH1A1 (0.58) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL7481507 0.64 KDM4E (0.53) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL8561717 0.64 SMN1; SMN2 (0.35) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL8044065 0.63 HSD17B10 (0.47) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL7476136 0.63 KMT2A (0.41) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL7476293 0.63 HSD17B10 (0.43) ALDH1A1KDM4ETSHRSMN1; SMN2RAB9A
SCHEMBL7484099 0.62 ADORA3 (0.43) ALDH1A1KDM4ESMN1; SMN2RAB9ANPC1

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