SCHEMBL10550507

SCHEMBL10550507

CSc1nc(N)nc(NC(C)CSc2ccccc2C)n1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 5/20 0.44
HSP90AB1 P08238 2/20 0.38
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 2/20 0.34
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
HTR7 P34969 3/20 0.32
ALDH1A1 P00352 1/20 0.32
ADRA1D P25100 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32

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
SCHEMBL9326258 0.87 LMNA (0.36) HSP90AA1HSP90AB1LMNAL3MBTL1NPC1
SCHEMBL10552817 0.86 LMNA (0.38) LMNAL3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL10550678 0.84 LMNA (0.37) HSP90AA1LMNAL3MBTL1NPC1RAB9A
SCHEMBL9324082 0.78 HSP90AB1 (0.36) HSP90AA1HSP90AB1LMNASMN1; SMN2MAPT
SCHEMBL10563385 0.77 NPC1 (0.38) HSP90AA1LMNAL3MBTL1NPC1RAB9A
SCHEMBL9325338 0.74 ATM (0.39) HSP90AA1LMNAL3MBTL1MAPTALDH1A1
SCHEMBL9325343 0.73 POLB (0.37) HSP90AA1LMNAL3MBTL1NPC1RAB9A
SCHEMBL10361019 0.71 HTR7 (0.37) HSP90AA1LMNAL3MBTL1HTR7ADRA1D
SCHEMBL2106591 0.70 MAPK1 (0.53) HSP90AA1HSP90AB1LMNAL3MBTL1SMN1; SMN2
SCHEMBL10554973 0.69 LMNA (0.42) LMNANPC1RAB9ASMN1; 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
US-4844731-A HERBICIDES FOR RICE PADDYS IDEMITSU COMPANY CO., LTD. (JP) 1989-07-04 US disclosed