SCHEMBL6061665

SCHEMBL6061665

CCCS(=O)(=O)CCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCCO)c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 3/20 0.38
ALDH1A1 P00352 3/20 0.38
USP2 O75604 2/20 0.38
LMNA P02545 2/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
MAPT P10636 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HTT P42858 3/20 0.37
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CNR2 P34972 2/20 0.36

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
SCHEMBL5545362 0.89 CNR2 (0.41) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL5545559 0.89 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL5540640 0.88 MEN1 (0.48) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL5538946 0.87 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL5545369 0.87 L3MBTL1 (0.40) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL5543127 0.86 L3MBTL1 (0.41) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL5539155 0.85 EGLN1 (0.40) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL5539051 0.85 CNR2 (0.42) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL5545367 0.84 CNR2 (0.42) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2
SCHEMBL5545774 0.84 CNR2 (0.42) MEN1KMT2AL3MBTL1KDM4ESMN1; SMN2

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-1720856-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-11-15 EP disclosed
WO-2005077050-A2 HIV INTEGRASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO disclosed