SCHEMBL10550678

SCHEMBL10550678

Cc1ccccc1SCC(C)Nc1nc(N)nc(Cl)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 2/20 0.37
HSP90AA1 P07900 1/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
POLB P06746 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HTR7 P34969 3/20 0.33
NPSR1 Q6W5P4 2/20 0.33
JAK2 O60674 1/20 0.33
TNF P01375 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL10552817 0.88 LMNA (0.38) LMNAL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL9325343 0.86 POLB (0.37) LMNAL3MBTL1ALDH1A1HSP90AA1NPC1
SCHEMBL10550507 0.84 HSP90AA1 (0.44) LMNAL3MBTL1ALDH1A1HSP90AA1NPC1
SCHEMBL10563385 0.78 NPC1 (0.38) LMNAL3MBTL1ALDH1A1HSP90AA1NPC1
SCHEMBL9326246 0.78 GAA (0.35) L3MBTL1ALDH1A1POLBGAATDP1
SCHEMBL9325383 0.74 APP (0.40) LMNAL3MBTL1ALDH1A1POLBGAA
SCHEMBL10552159 0.71 HSP90AA1 (0.40) ALDH1A1HSP90AA1NPC1RAB9ASMN1; SMN2
SCHEMBL9326258 0.71 LMNA (0.36) LMNAL3MBTL1HSP90AA1NPC1RAB9A
SCHEMBL2494097 0.71 GAA (0.47) LMNAL3MBTL1ALDH1A1HSP90AA1SMN1; SMN2
SCHEMBL13632663 0.69 HTR7 (0.56) GAATDP1HTR7ADRA1DADRA1A

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
US-4844731-A HERBICIDES FOR RICE PADDYS IDEMITSU COMPANY CO., LTD. (JP) 1989-07-04 US disclosed