SCHEMBL5532226

SCHEMBL5532226

CC1(C)OCCn2c1nc(C(=O)NCc1ccc(F)cc1[AsH2])c(OCc1ccccc1)c2=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PDE5A O76074 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
KCNA5 P22460 1/20 0.33
RIPK1 Q13546 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
P2RX7 Q99572 1/20 0.32
GRM5 P41594 1/20 0.32

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
SCHEMBL4039718 0.92 MEN1 (0.35) MEN1KMT2APDE5AL3MBTL1KCNA5
SCHEMBL4036499 0.92 MEN1 (0.34) MEN1KMT2APDE5AL3MBTL1KCNA5
SCHEMBL14511038 0.92 L3MBTL1 (0.36) MEN1KMT2AL3MBTL1KCNA5RIPK1
SCHEMBL4041319 0.91 L3MBTL1 (0.35) MEN1KMT2APDE5AL3MBTL1KCNA5
SCHEMBL4036817 0.91 MEN1 (0.34) MEN1KMT2APDE5AL3MBTL1KCNA5
SCHEMBL13930036 0.91 PDE5A (0.35) MEN1KMT2APDE5AL3MBTL1KCNA5
SCHEMBL4036395 0.90 DRD2 (0.39) MEN1KMT2AL3MBTL1KCNA5LMNA
SCHEMBL4036175 0.90 MAPT (0.35) MEN1KMT2APDE5AL3MBTL1KCNA5
SCHEMBL13917243 0.90 MEN1 (0.33) MEN1KMT2APDE5AL3MBTL1KCNA5
SCHEMBL13948817 0.90 PLA2G1B (0.34) MEN1KMT2APDE5AL3MBTL1KCNA5

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
WO-2007064316-A1 BICYCLIC HETEROCYCLES AS HIV INTEGRASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-06-07 WO disclosed