SCHEMBL28580508

SCHEMBL28580508

NNc1nc(-c2ccc(F)cc2)cs1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.67
MEN1 O00255 7/20 0.67
MAPT P10636 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
GFER P55789 1/20 0.67
RAB9A P51151 6/20 0.62
ALOX5 P09917 3/20 0.62
ALDH1A1 P00352 2/20 0.62
NPY5R Q15761 1/20 0.62
NPC1 O15118 5/20 0.58
TDP1 Q9NUW8 2/20 0.58
POLB P06746 1/20 0.58
MAOA P21397 3/20 0.56
MAOB P27338 3/20 0.56
MAPK1 P28482 1/20 0.56
LMNA P02545 1/20 0.54
NPSR1 Q6W5P4 1/20 0.52
CASP3 P42574 1/20 0.52
SENP8 Q96LD8 1/20 0.52
SENP7 Q9BQF6 1/20 0.52

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
SCHEMBL22761305 0.84 MAPT (0.69) KMT2AMEN1MAPTSMN1; SMN2GFER
SCHEMBL28565094 0.82 MAPT (0.67) KMT2AMEN1MAPTSMN1; SMN2GFER
SCHEMBL28564131 0.82 NPC1 (0.70) KMT2AMEN1MAPTSMN1; SMN2GFER
SCHEMBL28911498 0.82 MAPT (0.68) KMT2AMEN1MAPTSMN1; SMN2GFER
SCHEMBL28030442 0.82 MAPT (0.67) KMT2AMEN1MAPTSMN1; SMN2GFER
SCHEMBL28588005 0.82 MAPT (0.74) KMT2AMEN1MAPTSMN1; SMN2GFER
SCHEMBL8172023 0.82 RAB9A (0.70) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL14531681 0.82 NPY5R (0.62) KMT2AMEN1MAPTSMN1; SMN2RAB9A
SCHEMBL1302488 0.81 MEN1 (0.96) KMT2AMEN1MAPTSMN1; SMN2GFER
SCHEMBL28911485 0.81 ALOX5 (0.62) KMT2AMEN1MAPTSMN1; SMN2GFER

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 3 patents. 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
CN-115448915-A SIRT5 inhibitor and preparation method and application thereof 广西师范大学 2022-12-09 CN disclosed
CN-112939889-A Fluorine-containing compound and application thereof as antifungal drug 北京工商大学 2021-06-11 CN disclosed