SCHEMBL30294201

SCHEMBL30294201

NNc1nc(-c2ccccc2Cl)cs1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
MAPT P10636 1/20 0.58
GFER P55789 1/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
GSTO1 P78417 1/20 0.58
CYP1A1 P04798 3/20 0.56
CYP1B1 Q16678 3/20 0.56
CYP1A2 P05177 2/20 0.56
ATP4A P20648 3/20 0.54
ATP4B P51164 3/20 0.54
KDM1A O60341 1/20 0.53
CYP19A1 P11511 1/20 0.53
LMNA P02545 3/20 0.52
PTGS2 P35354 1/20 0.52
THRB P10828 1/20 0.49
ALDH1A1 P00352 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
SCHEMBL19631456 1.00 SMN1; SMN2 (0.58) SMN1; SMN2KMT2AMEN1MAPTGFER
SCHEMBL1916379 0.83 NPC1 (0.58) SMN1; SMN2KMT2AMEN1MAPTNPC1
SCHEMBL30660073 0.81 GSTO1 (0.64) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL3608371 0.81 GSTO1 (0.64) SMN1; SMN2KMT2AMEN1NPC1RAB9A
SCHEMBL14814817 0.81 PKM (0.61) SMN1; SMN2KMT2AMEN1MAPTGFER
SCHEMBL28911453 0.80 MPL (0.65) SMN1; SMN2KMT2AMEN1MAPTGFER
SCHEMBL19679632 0.80 KMT2A (0.58) SMN1; SMN2KMT2AMEN1MAPTGFER
SCHEMBL24590309 0.80 TYR (0.56) SMN1; SMN2KMT2ANPC1RAB9AL3MBTL1
SCHEMBL1915273 0.80 LMNA (0.60) SMN1; SMN2KMT2AMEN1MAPTNPC1
SCHEMBL24107619 0.80 GSTO1 (0.61) SMN1; SMN2KMT2AMEN1NPC1RAB9A

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-113880786-B Synthesis method and anti-oxidation application of camphene aldehyde thiazole hydrazone derivative 江西农业大学 2023-03-03 CN disclosed