SCHEMBL7445832

SCHEMBL7445832

O=C(O)NC(=O)c1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.51
CHRNB2 P17787 4/20 0.49
CHRNB4 P30926 4/20 0.49
CHRNA3 P32297 4/20 0.49
CHRNA4 P43681 4/20 0.49
L3MBTL1 Q9Y468 1/20 0.47
BCAT2 O15382 1/20 0.46
FABP4 P15090 2/20 0.44
FABP3 P05413 1/20 0.44
FABP5 Q01469 1/20 0.44
HTT P42858 3/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MYC P01106 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL8088437 0.83 HNF4A (0.51) HNF4ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28085560 0.83 HNF4A (0.51) HNF4ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL541086 0.83 HNF4A (0.51) HNF4ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL9440120 0.82 CHRNB2 (0.61) CHRNB2CHRNB4CHRNA3CHRNA4L3MBTL1
SCHEMBL225203 0.80 HNF4A (0.71) HNF4ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8778491 0.80 HNF4A (0.60) HNF4ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28380645 0.77 HNF4A (0.56) HNF4ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL10455075 0.77 HNF4A (0.56) HNF4ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL2025737 0.77 BCAT2 (0.71) HNF4ACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL16180782 0.77 HNF4A (0.56) HNF4ACHRNB2CHRNB4CHRNA3CHRNA4

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
WO-1992022295-A1 USE OF GUANIDINE DERIVATIVES IN THE PREPARATION OF A DRUG FOR THE TREATMENT OF SEPSIS AND SEPSIS-LIKE CONDITIONS AND SEPTIC SHOCK NEUGEBAUER EDMUND (DE) 1992-12-23 WO disclosed
EP-0511270-A1 NEW THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1992-11-04 EP disclosed
WO-1991010657-A1 NEW THIAZOLE DERIVATIVES CEDONA PHARMACEUTICALS B.V. (NL) 1991-07-25 WO disclosed