SCHEMBL28461564

SCHEMBL28461564

Nc1nnnn1-c1ccc(Cl)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.56
LMNA P02545 4/20 0.54
HSD17B10 Q99714 1/20 0.54
PTGS2 P35354 2/20 0.49
HTT P42858 3/20 0.48
GPR55 Q9Y2T6 1/20 0.48
RAB9A P51151 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
TP53 P04637 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
NOTUM Q6P988 2/20 0.41
F2 P00734 1/20 0.41
ALOX12 P18054 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL28144670 0.80 TDP1 (0.47) MAPTLMNAHSD17B10HTTRAB9A
SCHEMBL13662746 0.80 MAPT (0.56) MAPTLMNAPTGS2HTTRAB9A
SCHEMBL28457496 0.80 LMNA (0.36) MAPTLMNAHSD17B10PTGS2HTT
SCHEMBL11348738 0.79 ALDH1A1 (0.61) MAPTLMNAHTTMEN1KMT2A
SCHEMBL13659761 0.79 NOTUM (0.46) MAPTLMNAHTTRAB9AMEN1
SCHEMBL4895319 0.79 MAPT (0.59) MAPTLMNAHSD17B10PTGS2HTT
Fenamole SCHEMBL43680 0.79 ALDH1A1 (0.53) MAPTLMNAHTTRAB9AMEN1
SCHEMBL28463371 0.79 POLB (0.47) MAPTLMNAHTTMEN1TP53
SCHEMBL5685523 0.76 MAPT (0.56) MAPTLMNAHSD17B10PTGS2HTT
SCHEMBL10402398 0.76 MAPT (0.56) MAPTLMNAHSD17B10PTGS2HTT

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-107501198-B Sulfoxide tetrazole derivative and preparation method and application thereof 南京农业大学 2020-08-18 CN disclosed