SCHEMBL7049341

SCHEMBL7049341

C[C](F)Sc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGLL Q99685 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 3/20 0.40
MAPK1 P28482 1/20 0.36
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
FFAR1 O14842 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
ESR1 P03372 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ALPG P10696 1/20 0.33
MEN1 O00255 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
SCHEMBL2288655 0.80 MAPT (0.47) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL1454790 0.78 HPGD (0.45) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL24097655 0.77 HPGD (0.39) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL342299 0.74 CA12 (0.54) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL2374205 0.74 MAPT (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL7051052 0.74 ALDH1A1 (0.45) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL776859 0.74 MAPT (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL777004 0.74 MAPT (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL10774029 0.74 HPGD (0.41) MAPTHPGDSMN1; SMN2MGLLHSD17B10
SCHEMBL10708211 0.73 ALDH1A1 (0.41) MAPTHPGDHSD17B10ALDH1A1MTNR1A

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-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 EP disclosed