SCHEMBL7940072

SCHEMBL7940072

Cc1cc(C)c(N2CCN(C(=O)c3ccc(N4C(=O)OC[C@H]4COCCO)cc3)CC2)nc1C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.34
MEN1 O00255 6/20 0.34
ALDH1A1 P00352 6/20 0.34
LMNA P02545 6/20 0.34
CFTR P13569 1/20 0.34
PLA2G2A P14555 3/20 0.34
MAPT P10636 3/20 0.34
MAPK1 P28482 1/20 0.34
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.33

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
SCHEMBL2366800 0.93 LMNA (0.35) KMT2AMEN1ALDH1A1LMNACFTR
SCHEMBL2366808 0.93 LMNA (0.35) KMT2AMEN1ALDH1A1LMNACFTR
SCHEMBL2365884 0.93 KMT2A (0.38) KMT2AMEN1ALDH1A1LMNACFTR
SCHEMBL2365911 0.93 KMT2A (0.38) KMT2AMEN1ALDH1A1LMNACFTR
SCHEMBL2366365 0.90 PIK3CA (0.39) KMT2AMEN1ALDH1A1LMNACFTR
SCHEMBL2366372 0.90 PIK3CA (0.39) KMT2AMEN1ALDH1A1LMNACFTR
SCHEMBL2366371 0.90 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL2366360 0.90 ALDH1A1 (0.37) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL2365968 0.87 KMT2A (0.38) KMT2AMEN1ALDH1A1LMNATSHR
SCHEMBL2365959 0.87 KMT2A (0.38) KMT2AMEN1ALDH1A1LMNATSHR

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-2010050461-A1 NOVEL AMIDE DERIVATIVE AND USE THEREOF AS MEDICINE 田辺三菱製薬株式会社 (JP) 2010-05-06 WO disclosed