SCHEMBL5118409

SCHEMBL5118409

CC1CC(c2nc(O)c(O)c(C(=O)NCc3ccc(F)cc3)n2)N(C(=O)c2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.42
TLR1 Q15399 1/20 0.42
PTGER4 P35408 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KCNE1 P15382 1/20 0.38
CCR1 P32246 1/20 0.38
KCNQ1 P51787 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ERCC1 P07992 1/20 0.38
FEN1 P39748 1/20 0.38
ERCC4 Q92889 1/20 0.38
KCNH2 Q12809 1/20 0.38
CYP2C9 P11712 1/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
ALOX12 P18054 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL5121491 0.90 VHL (0.41) TLR2TLR1PTGER4SMN1; SMN2ALDH1A1
SCHEMBL5128379 0.90 RXFP1 (0.41) PTGER4MEN1KMT2A
SCHEMBL5114844 0.87 PTGER4 (0.39) TLR2TLR1PTGER4SMN1; SMN2ALDH1A1
SCHEMBL6645368 0.86 LMNA (0.41) TLR2TLR1PTGER4ALDH1A1L3MBTL1
SCHEMBL5122193 0.86 LMNA (0.41) TLR2TLR1PTGER4ALDH1A1L3MBTL1
SCHEMBL5121553 0.86 ALDH1A1 (0.48) PTGER4SMN1; SMN2ALDH1A1KCNH2CYP2C9
SCHEMBL5122404 0.85 SMN1; SMN2 (0.41) PTGER4SMN1; SMN2ALDH1A1KCNE1CCR1
SCHEMBL5119825 0.85 ALDH1A1 (0.46) PTGER4ALDH1A1KCNH2CYP2C9
SCHEMBL5123537 0.84 PRKAA2 (0.41) TLR2TLR1PTGER4SMN1; SMN2ALDH1A1
SCHEMBL5123260 0.83 KMT2A (0.42) PTGER4SMN1; SMN2ALDH1A1ERCC1FEN1

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
US-7459452-B2 Dihydroxypyrimidine carboxamide inhibitors of HIV integrase ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2008-12-02 US claimed