SCHEMBL4552896

SCHEMBL4552896

O=C(C(=O)N(c1ccccc1)c1ccc(F)cc1F)c1c(-c2cccc(F)c2)cc2ccccn12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.53
L3MBTL1 Q9Y468 2/20 0.43
THRB P10828 1/20 0.43
MAPT P10636 6/20 0.41
HTT P42858 3/20 0.41
POLB P06746 1/20 0.40
ALDH1A1 P00352 6/20 0.38
LMNA P02545 3/20 0.38
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
MEN1 O00255 1/20 0.33
RECQL P46063 1/20 0.33
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 1/20 0.31
TRPV1 Q8NER1 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
PDE4B Q07343 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
SCHEMBL3885802 0.76 SMN1; SMN2 (0.53) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1644336 0.76 THRB (0.51) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1647385 0.72 SMN1; SMN2 (0.79) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1647405 0.72 SMN1; SMN2 (0.52) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL4618649 0.71 THRB (0.50) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL4639921 0.71 SMN1; SMN2 (0.61) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1644684 0.70 SMN1; SMN2 (1.00) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL4638493 0.69 SMN1; SMN2 (0.56) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL1645710 0.69 SMN1; SMN2 (0.70) SMN1; SMN2L3MBTL1THRBMAPTHTT
SCHEMBL2093494 0.68 NPSR1 (0.48) SMN1; SMN2L3MBTL1MAPTHTTPOLB

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-2097413-A1 2-[(2-SUBSTITUTED)-IND0LIZIN-3-YL]-2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G Limited (GB) 2009-09-09 EP disclosed
WO-2008062182-A1 2- [ (2-SUBSTITUTED) -IND0LIZIN-3-YL] -2-OXO-ACETAMIDE DERIVATIVES AS ANTIFUNGAL AGENTS F2G LTD (GB) 2008-05-29 WO disclosed