SCHEMBL8567754

SCHEMBL8567754

CNC(=O)c1cc(OC)c(-c2ccccc2-c2ccccc2)c(OC)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
LMNA P02545 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 3/20 0.49
MAPT P10636 1/20 0.49
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
PLK1 P53350 1/20 0.44
TUBB4A P04350 8/20 0.43
TUBB P07437 8/20 0.43
TUBA3C P0DPH7 8/20 0.43
TUBA1B P68363 8/20 0.43
TUBA4A P68366 8/20 0.43
TUBB4B P68371 8/20 0.43
TUBB3 Q13509 8/20 0.43
TUBB2A Q13885 8/20 0.43
TUBB8 Q3ZCM7 8/20 0.43
TUBA3E Q6PEY2 8/20 0.43
TUBA1A Q71U36 8/20 0.43
TUBA1C Q9BQE3 8/20 0.43

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
SCHEMBL8570517 0.81 HTT (0.45) HTTLMNAALDH1A1KDM4EMAPT
SCHEMBL8573482 0.80 HTT (0.47) HTTLMNAALDH1A1KDM4EMAPT
SCHEMBL8569636 0.78 HTT (0.45) HTTLMNAALDH1A1KDM4EMAPT
SCHEMBL8572767 0.74 GAA (0.45) HTTLMNAALDH1A1KDM4EMAPT
SCHEMBL8572559 0.72 GAA (0.45) HTTLMNAALDH1A1KDM4EMAPT
SCHEMBL7445914 0.72 MYC (0.53) HTTLMNAALDH1A1KDM4EMAPT
SCHEMBL7453899 0.71 GAA (0.44) HTTLMNAALDH1A1KDM4EMAPT
SCHEMBL7855891 0.71 FGFR1 (0.40) HTTLMNAALDH1A1KDM4EMAPT
SCHEMBL7445923 0.71 L3MBTL1 (0.48) LMNAALDH1A1KDM4EPLK1NPSR1
SCHEMBL8568182 0.71 PLK1 (0.48) HTTALDH1A1KDM4EMAPTPLK1

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-5846990-A Substituted biphenyl isoxazole sulfonamides BRISTOL-MYERS SQUIBB CO. (US) 1998-12-08 US disclosed