SCHEMBL4733183

SCHEMBL4733183

Cc1nc(C(F)F)c(OC(=O)Nc2ccccc2-c2ccc(SC(F)(F)F)cc2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
KCNK2 O95069 2/20 0.35
KCNK10 P57789 1/20 0.35
KIF11 P52732 1/20 0.34
PDE2A O00408 5/20 0.34
PLA2G1B P04054 1/20 0.33
THRB P10828 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
CHRM3 P20309 4/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL4729048 0.91 RXFP1 (0.35) LMNAL3MBTL1MEN1KMT2AKCNK2
SCHEMBL1018834 0.87 CHRM3 (0.44) MEN1KMT2ANPC1RAB9ACHRM3
SCHEMBL4734232 0.87 MAPT (0.41) SMN1; SMN2LMNAL3MBTL1MEN1KMT2A
SCHEMBL1019446 0.85 POLB (0.38) LMNAL3MBTL1MEN1KMT2APLA2G1B
SCHEMBL4733778 0.83 ALDH1A1 (0.38) SMN1; SMN2L3MBTL1MEN1KMT2ANPC1
SCHEMBL4733534 0.82 AKR1C3 (0.35) SMN1; SMN2LMNAL3MBTL1MEN1KMT2A
SCHEMBL4733467 0.82 CA2 (0.44) MEN1KMT2APOLBMAPT
SCHEMBL4732011 0.81 ALDH1A1 (0.37) SMN1; SMN2LMNAL3MBTL1MEN1KMT2A
SCHEMBL1024112 0.79 CHRM3 (0.40) MEN1KMT2ANPSR1NPC1RAB9A
SCHEMBL1128032 0.79 CHRM3 (0.36) SMN1; SMN2LMNAL3MBTL1MEN1KMT2A

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