SCHEMBL874896

SCHEMBL874896

CCNc1cc(-c2ccc(NC(=O)NCc3cccnc3)cc2)sc1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NAMPT P43490 10/20 0.54
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
TSHR P16473 1/20 0.52
CYP2C9 P11712 1/20 0.51

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
SCHEMBL874893 0.91 POLB (0.55) POLBSMN1; SMN2L3MBTL1NAMPTKMT2A
SCHEMBL882718 0.91 POLB (0.58) POLBSMN1; SMN2L3MBTL1NAMPTKMT2A
SCHEMBL874533 0.85 SMN1; SMN2 (0.58) POLBSMN1; SMN2L3MBTL1NAMPTKMT2A
SCHEMBL875189 0.82 POLB (0.58) POLBSMN1; SMN2L3MBTL1NAMPTKMT2A
SCHEMBL3649687 0.82 POLB (0.60) POLBSMN1; SMN2L3MBTL1NAMPTKMT2A
SCHEMBL882692 0.79 POLB (0.58) POLBSMN1; SMN2L3MBTL1NAMPTKMT2A
SCHEMBL3056014 0.77 NAMPT (0.61) POLBSMN1; SMN2L3MBTL1NAMPTKMT2A
SCHEMBL874891 0.76 HDAC1 (0.50) POLBNAMPT
SCHEMBL882700 0.76 POLB (0.60) POLBL3MBTL1NAMPTKMT2AMEN1
SCHEMBL875939 0.75 POLB (0.56) POLBNAMPTKMT2AMEN1

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-2012038904-A1 NICOTINAMIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-29 WO disclosed