SCHEMBL366166

SCHEMBL366166

CN(C)CCOC(=O)c1c2ccccc2n2cc(C(O)CCC#N)ccc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
UTS2R Q9UKP6 1/20 0.38
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
CHRM1 P11229 2/20 0.33
RAD52 P43351 2/20 0.33
MAPT P10636 2/20 0.33
POLB P06746 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGD P15428 1/20 0.32
POLR1A O95602 1/20 0.32
PHLPP2 Q6ZVD8 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GFER P55789 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM3 P20309 1/20 0.31

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
SCHEMBL365946 0.86 ALDH1A1 (0.47) ALDH1A1UTS2RTDP1MEN1KMT2A
SCHEMBL366165 0.85 ALDH1A1 (0.40) ALDH1A1TDP1MEN1KMT2ACHRM1
SCHEMBL365444 0.82 ALDH1A1 (0.48) ALDH1A1UTS2RTDP1MEN1KMT2A
SCHEMBL364337 0.81 ALDH1A1 (0.44) ALDH1A1TDP1MEN1KMT2ARAD52
SCHEMBL366992 0.81 ALDH1A1 (0.45) ALDH1A1UTS2RTDP1MEN1KMT2A
SCHEMBL366528 0.80 ALDH1A1 (0.48) ALDH1A1TDP1MEN1KMT2ARAD52
SCHEMBL364443 0.79 ALDH1A1 (0.45) ALDH1A1TDP1MEN1KMT2ARAD52
SCHEMBL364887 0.78 ALDH1A1 (0.52) ALDH1A1UTS2RTDP1MEN1KMT2A
SCHEMBL366408 0.78 ALDH1A1 (0.52) ALDH1A1TDP1MEN1KMT2ARAD52
SCHEMBL366312 0.78 ALDH1A1 (0.52) ALDH1A1TDP1MEN1KMT2ARAD52

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
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007007-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed