SCHEMBL8169372

SCHEMBL8169372

COc1nsc(N2CCN(c3ccccn3)CC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
RAB9A P51151 1/20 0.49
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
HSD17B10 Q99714 4/20 0.46
TSHR P16473 3/20 0.46
CYP2C19 P33261 2/20 0.46
HPGD P15428 1/20 0.46
CYP2C9 P11712 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ACHE P22303 1/20 0.44
BACE1 P56817 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL8170319 0.82 MAPT (0.52) HTTMAPTNPC1LMNATP53
SCHEMBL8170423 0.77 FAAH (0.61) HTTMAPTNPC1LMNATP53
SCHEMBL8172016 0.75 ALDH1A1 (0.53) HTTMAPTNPC1LMNATP53
SCHEMBL8163279 0.75 MAPT (0.48) HTTMAPTNPC1LMNATP53
SCHEMBL21353591 0.73
SCHEMBL29857922 0.73 PLD1 (0.73) MAPTMAPK1RAB9AALDH1A1KDM4E
SCHEMBL15800694 0.73 PLD1 (0.73) MAPTMAPK1RAB9AALDH1A1KDM4E
SCHEMBL8162517 0.72 HTR1A (0.50) HTTMAPTNPC1LMNATP53
SCHEMBL8168759 0.72 HTR1A (0.50) HTTMAPTNPC1LMNATP53
SCHEMBL8170400 0.72 MAPT (0.45) HTTMAPTNPC1LMNATP53

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
US-6060472-A Thiadiazole compounds useful as inhibitors of H+ /K+ atpase APOTEX INC. (CA) 2000-05-09 US claimed
WO-1999051584-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF H+/K+ ATPASE APOTEX INC. (CA) 1999-10-14 WO claimed
US-6060472-A Thiadiazole compounds useful as inhibitors of H+ /K+ atpase APOTEX INC. (CA) 2000-05-09 US disclosed
WO-1999051584-A1 THIADIAZOLE COMPOUNDS USEFUL AS INHIBITORS OF H+/K+ ATPASE APOTEX INC. (CA) 1999-10-14 WO disclosed