SCHEMBL3387751

SCHEMBL3387751

[NH]C(=O)c1ccc(-c2ccc(Nc3nc4ccc(F)cc4s3)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.65
CSGALNACT1 Q8TDX6 1/20 0.65
MAPT P10636 9/20 0.61
SMN1; SMN2 Q16637 8/20 0.61
NPC1 O15118 7/20 0.61
RAB9A P51151 6/20 0.61
KMT2A Q03164 7/20 0.59
HTT P42858 6/20 0.59
MEN1 O00255 6/20 0.59
KDM4E B2RXH2 6/20 0.59
HPGD P15428 5/20 0.59
LMNA P02545 5/20 0.59
GAA P10253 3/20 0.59
MCL1 Q07820 3/20 0.59
TNF P01375 2/20 0.59
NOD1 Q9Y239 2/20 0.59
NR2F2 P24468 1/20 0.59
KLF5 Q13887 1/20 0.59
ALDH1A1 P00352 6/20 0.55
ALPL P05186 1/20 0.55

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
SCHEMBL3387754 0.89 DGAT1 (0.66) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL3128570 0.89 DGAT1 (0.69) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL3388727 0.86 DGAT1 (0.67) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761313 0.86 SMN1; SMN2 (0.77) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL3127967 0.82 MAPT (0.63) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761569 0.81 DGAT1 (0.62) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL2308058 0.81 DGAT1 (0.62) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761653 0.81 DGAT1 (0.82) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
Bicarbonate SCHEMBL2307791 0.81 DGAT1 (0.61) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1
SCHEMBL1761939 0.81 DGAT1 (0.67) DGAT1CSGALNACT1MAPTSMN1; SMN2NPC1

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
EP-1805156-B1 PREPARATION AND USE OF BIPHENYL-4-YL-CARBONYLAMINO ACID DERIVATIVES FOR THE TREATMENT OF OBESITY BAYER HEALTHCARE LLC (US) 2010-12-22 EP claimed