SCHEMBL4733467

SCHEMBL4733467

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.44
CA9 Q16790 5/20 0.44
CA12 O43570 4/20 0.44
CA1 P00915 4/20 0.44
PTGS2 P35354 9/20 0.40
PTGS1 P23219 8/20 0.40
PIK3CD O00329 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PIK3CG P48736 1/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
DRD1 P21728 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
POLQ O75417 1/20 0.35

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
SCHEMBL4733778 0.91 ALDH1A1 (0.38) PTGS2PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL4731393 0.91 CA2 (0.39) CA2CA9CA12CA1PTGS2
SCHEMBL1019446 0.86 POLB (0.38) MEN1POLBKMT2AMAPT
SCHEMBL4732975 0.85 CA12 (0.44) CA2CA9CA12CA1PTGS2
SCHEMBL1018834 0.84 CHRM3 (0.44) MEN1KMT2AMAPT
SCHEMBL4733183 0.82 SMN1; SMN2 (0.36) MEN1POLBKMT2AMAPT
SCHEMBL1024112 0.80 CHRM3 (0.40) MEN1KMT2AKDM4EMAPT
SCHEMBL4733534 0.79 AKR1C3 (0.35) MEN1POLBKMT2AKDM4EMAPT
SCHEMBL4732011 0.79 ALDH1A1 (0.37) MEN1POLBKMT2AKDM4EMAPT
SCHEMBL4729048 0.77 RXFP1 (0.35) MEN1KMT2A

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