SCHEMBL27848741

SCHEMBL27848741

CC(C)(C)[C@H]1COC(c2ccccc2N)=N1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TAAR1 Q96RJ0 3/20 0.36
S1PR1 P21453 1/20 0.35
CNR2 P34972 1/20 0.35
P2RY1 P47900 1/20 0.34
POLB P06746 1/20 0.33
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL28662764 1.00 MAPT (0.38) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL1985002 0.87 NPC1 (0.35) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL12017252 0.83 RAB9A (0.38) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31048519 0.83 MAPT (0.38) MAPTNPC1RAB9ASMN1; SMN2TAAR1
SCHEMBL28703889 0.81 RAB9A (0.38) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14498459 0.81 MAPT (0.38) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28688009 0.81 RAB9A (0.38) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL28688006 0.81 RAB9A (0.38) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14648500 0.81 ALOX15 (0.40) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL14648501 0.81 ALOX15 (0.40) MAPTNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113754604-B Nitrogen-containing chiral ligand and application thereof in asymmetric oxidation reaction of thioether 江苏奥赛康药业有限公司 2023-09-08 CN disclosed
CN-114805348-B Triazolopyridine amide compound and preparation method and application thereof 贵州大学 2023-05-23 CN disclosed
CN-114805348-A Triazolopyridine amide compound and preparation method and application thereof 贵州大学 2022-07-29 CN disclosed
CN-113754604-A Nitrogen-containing chiral ligand and application thereof in asymmetric oxidation reaction of thioether 江苏奥赛康药业有限公司 2021-12-07 CN disclosed
CN-102428156-A Method of treating borehole and drilling fluid MONTANUNIV LEOBEN 2012-04-25 CN disclosed