SCHEMBL9416213

SCHEMBL9416213

CCN(CC)c1ccc(C2(C=C(c3c(-c4ccccc4)n(CC)c4ccccc34)c3c(-c4ccccc4)n(CC)c4ccccc34)OC(=O)c3ccccc32)c(C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
KDM4E B2RXH2 5/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 8/20 0.40
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HTT P42858 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.35
RPS6KA2 Q15349 1/20 0.35
CLK1 P49759 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
ATM Q13315 2/20 0.33
HCRTR1 O43613 1/20 0.33
TSHR P16473 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 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
SCHEMBL9416198 0.90 ALDH1A1 (0.38) ALDH1A1KDM4EPOLBMAPTMEN1
SCHEMBL9416220 0.89 ALDH1A1 (0.40) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL6951514 0.88 ALDH1A1 (0.45) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL7471857 0.87 MEN1 (0.35) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL9416206 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL9416204 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL9416207 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL6949531 0.82 ALDH1A1 (0.46) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL6949511 0.82 ALDH1A1 (0.44) ALDH1A1KDM4EPOLBHPGDMAPT
SCHEMBL9416216 0.81 ALDH1A1 (0.39) ALDH1A1KDM4EPOLBHPGDMAPT

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
EP-0581589-A2 Phthalide compounds, and recording materials using the compounds YAMAMOTO CHEMICALS, INC. (JP) 1994-02-02 EP disclosed