SCHEMBL4729048

SCHEMBL4729048

Cc1nc(C(F)F)c(OC(=O)Nc2ccccc2-c2cccc(SC(F)(F)F)c2)s1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 2/20 0.35
HDAC4 P56524 1/20 0.35
MEF2D Q14814 1/20 0.35
TRPV1 Q8NER1 5/20 0.35
KCNK2 O95069 1/20 0.35
CHRM3 P20309 5/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
PLA2G1B P04054 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
PDE2A O00408 1/20 0.33
PDE5A O76074 1/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
PDE1C Q14123 1/20 0.33
TACR1 P25103 1/20 0.32

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
SCHEMBL4733183 0.91 SMN1; SMN2 (0.36) KCNK2CHRM3MEN1LMNAPLA2G1B
SCHEMBL4733534 0.90 AKR1C3 (0.35) CHRM3ALDH1A1MEN1LMNAPLA2G1B
SCHEMBL4730702 0.88 MAPT (0.41) RXFP1HDAC4MEF2DTRPV1KCNK2
SCHEMBL1018834 0.82 CHRM3 (0.44) CHRM3ALDH1A1MEN1KMT2ATACR1
SCHEMBL4731393 0.81 CA2 (0.39) MEN1KMT2A
SCHEMBL1019446 0.80 POLB (0.38) CHRM3ALDH1A1MEN1LMNAPLA2G1B
SCHEMBL1024112 0.80 CHRM3 (0.40) CHRM3MEN1KMT2A
SCHEMBL4733535 0.79 MAPT (0.41) CHRM3ALDH1A1MEN1LMNAPLA2G1B
SCHEMBL4794346 0.79 RXFP1 (0.37) RXFP1CHRM3ALDH1A1LMNA
SCHEMBL4734232 0.78 MAPT (0.41) KCNK2CHRM3ALDH1A1MEN1LMNA

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
WO-2008053044-A2 HETARYL CARBON ACID-N-(BIPHEN-2-YL)AMIDE COMPOUNDS BASF SE (DE) 2008-05-08 WO claimed
WO-2008053044-A2 HETARYL CARBON ACID-N-(BIPHEN-2-YL)AMIDE COMPOUNDS BASF SE (DE) 2008-05-08 WO disclosed