SCHEMBL8555604

SCHEMBL8555604

COc1ccc(N2CCN(c3ncsn3)CC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.65
RAB9A P51151 3/20 0.65
KMT2A Q03164 2/20 0.65
NPC1 O15118 3/20 0.55
ALDH1A1 P00352 4/20 0.52
GAA P10253 2/20 0.52
L3MBTL1 Q9Y468 3/20 0.51
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
ADRB1 P08588 1/20 0.50
HTR3A P46098 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
DRD2 P14416 1/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
MAPK1 P28482 3/20 0.48
DHFR P00374 1/20 0.48
MEN1 O00255 1/20 0.47
TDP1 Q9NUW8 1/20 0.47

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
SCHEMBL8555924 0.80 MAPT (0.53) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL8558558 0.78 MAPT (0.61) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL8931652 0.75 MAPT (0.69) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL23657747 0.74 MAPT (0.72) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL6740893 0.73 MAPT (0.86) MAPTRAB9AKMT2AALDH1A1GAA
SCHEMBL8890453 0.73 GAA (0.69) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL14362730 0.72 HTR3E (0.63) MAPTRAB9AKMT2AALDH1A1L3MBTL1
SCHEMBL424503 0.72 DRD2 (0.66) MAPTRAB9AKMT2ANPC1ALDH1A1
SCHEMBL8555321 0.72 HRH4 (0.42) MAPTALDH1A1HTR3ATDP1HSD17B10
SCHEMBL6153220 0.72 ALDH1A1 (0.66) MAPTRAB9AKMT2ANPC1ALDH1A1

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