SCHEMBL1874288

SCHEMBL1874288

CCNc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ERCC1 P07992 1/20 0.44
FEN1 P39748 1/20 0.44
ERCC4 Q92889 1/20 0.44
KCNE1 P15382 1/20 0.44
CCR1 P32246 1/20 0.44
KCNQ1 P51787 1/20 0.44
LIPG Q9Y5X9 1/20 0.44
THRB P10828 1/20 0.43
CYP2C9 P11712 1/20 0.43
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL1877321 0.90 SMN1; SMN2 (0.49) SMN1; SMN2MEN1KMT2AKCNH2L3MBTL1
SCHEMBL4637379 0.87 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AKCNH2L3MBTL1
SCHEMBL1886479 0.87 THRB (0.57) SMN1; SMN2MEN1KMT2AERCC1FEN1
SCHEMBL4555867 0.85 SMN1; SMN2 (0.48) SMN1; SMN2MEN1KMT2AKCNH2L3MBTL1
SCHEMBL12952653 0.85 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AKCNH2ERCC1
SCHEMBL1875688 0.84 HDAC1 (0.49) SMN1; SMN2MEN1KMT2AKCNH2L3MBTL1
SCHEMBL1881737 0.84 SMN1; SMN2 (0.47) SMN1; SMN2MEN1KMT2AKCNH2L3MBTL1
SCHEMBL1881581 0.82 KCNH2 (0.46) SMN1; SMN2MEN1KMT2AKCNH2L3MBTL1
SCHEMBL1881234 0.82 KCNH2 (0.46) SMN1; SMN2MEN1KMT2AKCNH2L3MBTL1
SCHEMBL1877381 0.80 SMN1; SMN2 (0.46) SMN1; SMN2MEN1KMT2AL3MBTL1ERCC1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937678-B1 HIV INTEGRASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2011-07-27 EP claimed
US-7939537-B2 HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-05-10 US claimed
EP-1937678-B1 HIV INTEGRASE INHIBITORS ANGELETTI P IST RICHERCHE BIO (IT) 2011-07-27 EP disclosed
US-7939537-B2 HIV integrase inhibitors ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI S.P.A. (IT) 2011-05-10 US disclosed