SCHEMBL4597601

SCHEMBL4597601

CSc1cccc(CF)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
RECQL P46063 1/20 0.38
ALDH1A1 P00352 4/20 0.37
TP53 P04637 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KIF11 P52732 1/20 0.37
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
HTR2C P28335 1/20 0.36
HTR6 P50406 1/20 0.36

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
SCHEMBL5022962 0.80 SIGMAR1 (0.50) MAPTMEN1KMT2ARECQLTP53
SCHEMBL5178861 0.78 MAPT (0.41) MAPTMEN1KMT2ARECQLALDH1A1
SCHEMBL7827695 0.78 MAPT (0.41) MAPTMEN1KMT2ARECQLALDH1A1
SCHEMBL4801939 0.78 MAPT (0.45) MAPTMEN1KMT2ARECQLALDH1A1
SCHEMBL7050263 0.78 MAPT (0.41) MAPTMEN1KMT2ARECQLALDH1A1
SCHEMBL95655 0.78 ENPP2 (0.45) MAPTMEN1KMT2ARECQLALDH1A1
SCHEMBL4619501 0.78 ALDH1A1 (0.42) MAPTMEN1KMT2ARECQLALDH1A1
SCHEMBL7050271 0.78 PNMT (0.48) MAPTALDH1A1SMN1; SMN2KIF11HTR2C
SCHEMBL21208433 0.78 MAPT (0.41) MAPTMEN1KMT2ARECQLALDH1A1
SCHEMBL29899606 0.78 ENPP2 (0.45) MAPTMEN1KMT2ARECQLALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1907383-A1 GPCR AGONISTS Prosidion Limited (GB) 2008-04-09 EP disclosed
WO-2007003960-A1 GPCR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 WO disclosed