SCHEMBL6647465

SCHEMBL6647465

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
ALDH1A1 P00352 3/20 0.43
EGLN1 Q9GZT9 1/20 0.43
HTT P42858 1/20 0.43
HPGD P15428 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
THRB P10828 1/20 0.41
KCNE1 P15382 1/20 0.41
CCR1 P32246 1/20 0.41
KCNQ1 P51787 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL6645795 0.89 SMN1; SMN2 (0.45) SMN1; SMN2POLBERCC1FEN1ERCC4
SCHEMBL5259936 0.88 SMN1; SMN2 (0.47) SMN1; SMN2POLBERCC1FEN1ERCC4
SCHEMBL6647317 0.87 ALDH1A1 (0.44) SMN1; SMN2POLBERCC1FEN1ERCC4
Hydrochloric Acid SCHEMBL5255058 0.87 SMN1; SMN2 (0.46) SMN1; SMN2POLBERCC1FEN1ERCC4
SCHEMBL5256631 0.86 SMN1; SMN2 (0.43) SMN1; SMN2POLBERCC1FEN1ERCC4
SCHEMBL6650692 0.86 POLB (0.42) SMN1; SMN2POLBERCC1FEN1ERCC4
SCHEMBL6647080 0.86 SMN1; SMN2 (0.46) SMN1; SMN2POLBERCC1FEN1ERCC4
SCHEMBL5253607 0.86 SMN1; SMN2 (0.44) SMN1; SMN2POLBERCC1FEN1ERCC4
Hydrochloric Acid SCHEMBL6649005 0.85 SMN1; SMN2 (0.45) SMN1; SMN2POLBERCC1FEN1ERCC4
SCHEMBL5116135 0.84 POLB (0.44) SMN1; SMN2POLBERCC1FEN1ERCC4

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 claimed
WO-2003035076-A1 DIHYDROXYPYRIMIDINE CARBOXAMIDE INHIBITORS OF HIV INTEGRASE ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) 2003-05-01 WO claimed