SCHEMBL27780650

SCHEMBL27780650

Cc1cccc2nc(-c3ccccc3)n(N3CCCCC3C(=O)C=O)c(=O)c12

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
ALDH1A1 P00352 3/20 0.37
ELANE P08246 2/20 0.36
CASR P41180 1/20 0.35
PIK3CD O00329 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ABCC1 P33527 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
KCNK3 O14649 1/20 0.34
LMNA P02545 1/20 0.34
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34

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
SCHEMBL27759268 0.88 HRH3 (0.40) GAAELANEPIK3CDSMN1; SMN2HRH3
SCHEMBL27780658 0.81 KCNH2 (0.40) ALDH1A1ELANEPIK3CDSMN1; SMN2HRH3
SCHEMBL27780676 0.78 TNF (0.42) GAAELANEPIK3CDHRH3KCNK3
SCHEMBL27759300 0.78 HRH3 (0.42) GAAPIK3CDHRH3
SCHEMBL27759292 0.78 HRH3 (0.42) GAAALDH1A1ELANEPIK3CDSMN1; SMN2
SCHEMBL27780703 0.78 USP2 (0.37) ELANESMN1; SMN2HRH3KCNK3LMNA
SCHEMBL27759279 0.74 LMNA (0.31) GAALMNA
SCHEMBL27780652 0.66 HTT (0.36) ALDH1A1PIK3CDSMN1; SMN2HRH3LMNA
SCHEMBL28414381 0.63 KMT2A (0.48) ALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL18904268 0.62 L3MBTL1 (0.45) ALDH1A1ELANECASRPIK3CDSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101535291-A 5-substituted quinazolinone derivatives as antitumor agents CELGENE CORP (US) 2009-09-16 CN disclosed