SCHEMBL20108321

SCHEMBL20108321

CC(=O)NC1=CC(F)C(Br)C(Cl)=C1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
HSP90AB1 P08238 1/20 0.34
LMNA P02545 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
ATM Q13315 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL13519529 0.63 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL9436253 0.63 HSP90AA1 (0.33) HSP90AA1HSP90AB1LMNAALDH1A1MAPT
SCHEMBL24302594 0.57 SMN1; SMN2 (0.33) HSP90AA1HSP90AB1LMNAALDH1A1MAPT
SCHEMBL23640361 0.57 SMN1; SMN2 (0.33) HSP90AA1HSP90AB1LMNAALDH1A1MAPT
SCHEMBL20281295 0.57 LMNA (0.36) LMNAALDH1A1MAPTMEN1KMT2A
SCHEMBL17733547 0.55 NAMPT (0.33) HSP90AA1HSP90AB1LMNAALDH1A1MAPT
SCHEMBL7139219 0.55 LMNA (0.52) LMNAALDH1A1MAPTHTTL3MBTL1
SCHEMBL2728856 0.55 LMNA (0.58) LMNAALDH1A1MAPTHTTRAB9A
SCHEMBL3791417 0.55 LMNA (0.58) LMNAALDH1A1MAPTHTTRAB9A
SCHEMBL13591827 0.54 HSP90AA1 (0.33) HSP90AA1HSP90AB1HTTL3MBTL1

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-2964635-B1 ANTIVIRAL COMPOUNDS HOFFMANN LA ROCHE (CH) 2018-05-02 EP disclosed