Methylpiperazine

Methylpiperazine

SCHEMBL29123764

CN1CCNCC1.Cc1ccc2nc(N)sc2c1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.68
MAPT P10636 5/20 0.68
DRD2 P14416 2/20 0.52
NPC1 O15118 5/20 0.48
SMN1; SMN2 Q16637 5/20 0.48
SCN4A P35499 1/20 0.48
PIK3CD O00329 5/20 0.47
PIK3CA P42336 5/20 0.47
PIK3CB P42338 5/20 0.47
PI4KA P42356 5/20 0.47
PI4KB Q9UBF8 5/20 0.47
PIK3CG P48736 4/20 0.47
TP53 P04637 2/20 0.45
ALOX15 P16050 1/20 0.45
PIP5K1C O60331 1/20 0.45
GAA P10253 2/20 0.45
KDM4E B2RXH2 2/20 0.45
APP P05067 1/20 0.45
GLA P06280 1/20 0.45
CYP3A4 P08684 2/20 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
SCHEMBL7535 0.82 RAB9A (1.00) RAB9AMAPTNPC1SMN1; SMN2SCN4A
Hydrochloric Acid SCHEMBL27790630 0.81 RAB9A (0.96) RAB9AMAPTNPC1SMN1; SMN2SCN4A
SCHEMBL3232592 0.76 SCN4A (0.61) RAB9AMAPTNPC1SMN1; SMN2SCN4A
SCHEMBL30101637 0.76 RAB9A (0.55) RAB9AMAPTDRD2NPC1SMN1; SMN2
SCHEMBL28849859 0.76 RAB9A (0.55) RAB9AMAPTDRD2NPC1SMN1; SMN2
SCHEMBL75492 0.73 RAB9A (0.70) RAB9AMAPTDRD2NPC1SMN1; SMN2
SCHEMBL30101607 0.73 ILK (0.64) RAB9AMAPTDRD2NPC1SMN1; SMN2
SCHEMBL28849842 0.73 ILK (0.64) RAB9AMAPTDRD2NPC1SMN1; SMN2
SCHEMBL14728830 0.71 MAPT (0.64) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL4848589 0.71 MAPT (0.76) RAB9AMAPTNPC1SMN1; SMN2PIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115109011-B Benzothiazole compound, preparation method and application 河北师范大学 2023-12-15 CN disclosed