SCHEMBL4671962

SCHEMBL4671962

O=C(Nc1cccc(C(F)(F)F)c1)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 1/20 0.66
KDR P35968 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.57
MAPT P10636 5/20 0.52
MEN1 O00255 1/20 0.52
HTT P42858 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
MGAM O43451 1/20 0.50
LMNA P02545 1/20 0.49
TRPV1 Q8NER1 1/20 0.49
POLB P06746 1/20 0.49
TP53 P04637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
GOT1 P17174 1/20 0.47

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
SCHEMBL4554012 0.85 PDGFRB (0.48) PDGFRBKDRMAPTRAB9APOLB
SCHEMBL17669155 0.80 KDR (0.86) PDGFRBKDRL3MBTL1MAPTMEN1
SCHEMBL17669148 0.79 KDR (1.00) PDGFRBKDRL3MBTL1MAPTMEN1
SCHEMBL11924472 0.77 RAB9A (0.68) L3MBTL1MAPTMEN1HTTRAB9A
SCHEMBL4640537 0.74 POLB (0.53) PDGFRBKDRMAPTPOLB
SCHEMBL4640324 0.73 POLB (0.52) MAPTMEN1KMT2APOLB
SCHEMBL2295426 0.73 MAPT (0.71) MAPTMEN1HTTRAB9AKMT2A
SCHEMBL4638436 0.72 RAB9A (0.61) MAPTRAB9APOLB
SCHEMBL4669960 0.72 POLB (0.51) MAPTRAB9APOLB
SCHEMBL4669963 0.72 POLB (0.63) MAPTMEN1RAB9AKMT2APOLB

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-1888063-A1 ANTIFUNGAL AGENTS F2G Ltd. (GB) 2008-02-20 EP disclosed
WO-2006123145-A1 ANTIFUNGAL AGENTS F2G LTD (GB) 2006-11-23 WO disclosed