SCHEMBL4731393

SCHEMBL4731393

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.39
CA9 Q16790 8/20 0.39
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
POLQ O75417 1/20 0.39
CA4 P22748 1/20 0.37
FAAH O00519 2/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
POLB P06746 1/20 0.36
HTT P42858 1/20 0.36
PTGES2 Q9H7Z7 1/20 0.36
PTGS1 P23219 2/20 0.36
PTGS2 P35354 2/20 0.36
LIPC P11150 1/20 0.36
LIPG Q9Y5X9 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36

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
SCHEMBL4733467 0.91 CA2 (0.44) CA2CA9CA12CA1POLQ
SCHEMBL4730073 0.86 CA2 (0.39) CA2CA9CA12CA1POLQ
SCHEMBL4733778 0.84 ALDH1A1 (0.38) NPC1RAB9AMEN1KMT2APTGS2
SCHEMBL4733534 0.84 AKR1C3 (0.35) MEN1KMT2APOLBHTT
SCHEMBL4729048 0.81 RXFP1 (0.35) MEN1KMT2A
SCHEMBL1019446 0.81 POLB (0.38) MEN1KMT2APOLBHTT
SCHEMBL1024112 0.81 CHRM3 (0.40) NPC1RAB9AMEN1KMT2A
SCHEMBL1018834 0.79 CHRM3 (0.44) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL4733183 0.77 SMN1; SMN2 (0.36) NPC1RAB9AMEN1KMT2APOLB
SCHEMBL4732011 0.76 ALDH1A1 (0.37) NPC1RAB9AMEN1KMT2APOLB

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 1 patent. 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