SCHEMBL1877381

SCHEMBL1877381

O=C(NCc1cccn2c(=O)c(O)c(C(=O)NCc3ccc(F)cc3)nc12)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMO Q99835 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
CNR2 P34972 1/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
ALOX12 P18054 1/20 0.43
RECQL P46063 1/20 0.43
CXCR4 P61073 1/20 0.43
ERCC1 P07992 1/20 0.43
FEN1 P39748 1/20 0.43
ERCC4 Q92889 1/20 0.43
KDM4E B2RXH2 1/20 0.42
HPGD P15428 1/20 0.42
PTGER4 P35408 1/20 0.42

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
SCHEMBL1875688 0.89 HDAC1 (0.49) SMN1; SMN2L3MBTL1SMOCNR2MEN1
SCHEMBL1881581 0.85 KCNH2 (0.46) SMN1; SMN2L3MBTL1MEN1KMT2AERCC1
SCHEMBL4555867 0.84 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CNR2MEN1ALDH1A1
SCHEMBL4637379 0.83 SMN1; SMN2 (0.48) SMN1; SMN2L3MBTL1CNR2MEN1ALDH1A1
SCHEMBL1886479 0.83 THRB (0.57) SMN1; SMN2RXFP1MEN1KMT2AERCC1
SCHEMBL12952653 0.83 SMN1; SMN2 (0.47) SMN1; SMN2MEN1ALDH1A1LMNAKMT2A
SCHEMBL1875360 0.83 SMN1; SMN2 (0.45) SMN1; SMN2L3MBTL1CNR2MEN1ALDH1A1
SCHEMBL1877321 0.82 SMN1; SMN2 (0.49) SMN1; SMN2L3MBTL1MEN1ALDH1A1LMNA
SCHEMBL1875165 0.82 LMNA (0.55) SMN1; SMN2L3MBTL1CNR2ALDH1A1LMNA
SCHEMBL1887024 0.81 ALDH1A1 (0.48) SMN1; SMN2CNR2ALDH1A1LMNAKMT2A

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-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