SCHEMBL6650692

SCHEMBL6650692

CNC(Cc1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1)OC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KCNE1 P15382 1/20 0.41
CCR1 P32246 1/20 0.41
KCNQ1 P51787 1/20 0.41
ERCC1 P07992 1/20 0.41
FEN1 P39748 1/20 0.41
ERCC4 Q92889 1/20 0.41
ALDH1A1 P00352 3/20 0.41
EGLN1 Q9GZT9 1/20 0.41
HTT P42858 1/20 0.41
LIPG Q9Y5X9 1/20 0.41
KMT2A Q03164 2/20 0.40
KCNQ3 O43525 1/20 0.39
KCNQ2 O43526 1/20 0.39
THRB P10828 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL6644829 0.90 KCNE1 (0.44) POLBSMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL5116135 0.88 POLB (0.44) POLBSMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6648519 0.86 KCNE1 (0.44) POLBSMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6647465 0.86 SMN1; SMN2 (0.46) POLBSMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6647852 0.84 POLB (0.41) POLBSMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL5259936 0.83 SMN1; SMN2 (0.47) POLBSMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6644675 0.82 KCNE1 (0.39) POLBSMN1; SMN2KCNE1CCR1KCNQ1
Hydrochloric Acid SCHEMBL5255058 0.82 SMN1; SMN2 (0.46) POLBSMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6647080 0.81 SMN1; SMN2 (0.46) POLBSMN1; SMN2KCNE1CCR1KCNQ1
SCHEMBL6645795 0.80 SMN1; SMN2 (0.45) POLBSMN1; SMN2KCNE1CCR1KCNQ1

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
EP-1441734-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2004-08-04 EP disclosed
WO-2003035076-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 WO disclosed