SCHEMBL29033677

SCHEMBL29033677

CC(C)C=NNc1ccccn1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 12/20 0.51
▸ NPC1 O15118 10/20 0.51
▸ GAA P10253 9/20 0.51
▸ SMN1; SMN2 Q16637 7/20 0.51
▸ MAPT P10636 7/20 0.51
▸ LMNA P02545 5/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CASP3 P42574 1/20 0.51
▸ SENP7 Q9BQF6 1/20 0.51
▸ SENP6 Q9GZR1 1/20 0.51
▸ MEN1 O00255 8/20 0.51
▸ KMT2A Q03164 8/20 0.51
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ KDM4E B2RXH2 2/20 0.49
▸ GFER P55789 2/20 0.49
▸ NFKB1 P19838 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49

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
SCHEMBL16418407 0.79 RAB9A (0.56) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL25830149 0.79 RAB9A (0.56) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL12726207 0.79 RAB9A (0.56) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL24870922 0.76 RAB9A (0.56) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL25234452 0.75 RAB9A (0.56) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL7853699 0.74 RAB9A (0.71) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL7853695 0.74 RAB9A (0.71) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL24115295 0.74 RAB9A (0.43) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL3114355 0.73 RAB9A (0.53) RAB9ANPC1GAASMN1; SMN2MAPT
SCHEMBL3114363 0.73 RAB9A (0.53) RAB9ANPC1GAASMN1; SMN2MAPT

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-116444518-A Green synthesis method of condensed ring triazole compound 台州学院 2023-07-18 — — CN disclosed
Send feedback