SCHEMBL366941

SCHEMBL366941

COC(=O)c1c2ccccc2n2cc(C(=O)CC#N)ccc12

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
HK1 P19367 1/20 0.46
HKDC1 Q2TB90 1/20 0.46
KDM4E B2RXH2 4/20 0.44
NR4A2 P43354 3/20 0.41
POLB P06746 2/20 0.41
KMT2A Q03164 7/20 0.40
MEN1 O00255 2/20 0.40
EGFR P00533 1/20 0.40
SRC P12931 1/20 0.40
THRB P10828 1/20 0.40
GAA P10253 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.38

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
SCHEMBL366338 0.85 NR4A2 (0.45) ALDH1A1SMN1; SMN2KDM4ENR4A2POLB
SCHEMBL365030 0.85 NR4A2 (0.48) ALDH1A1SMN1; SMN2KDM4ENR4A2POLB
SCHEMBL364927 0.84 SRC (0.51) ALDH1A1SMN1; SMN2KDM4ENR4A2POLB
SCHEMBL366940 0.82 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2HK1HKDC1KDM4E
SCHEMBL364339 0.81 KMT2A (0.49) ALDH1A1SMN1; SMN2KDM4ENR4A2POLB
SCHEMBL364281 0.81 NR4A2 (0.48) ALDH1A1SMN1; SMN2KDM4ENR4A2POLB
SCHEMBL366111 0.81 LMNA (0.52) ALDH1A1KDM4ENR4A2POLBKMT2A
SCHEMBL367527 0.81 NR4A2 (0.41) ALDH1A1SMN1; SMN2KDM4ENR4A2POLB
SCHEMBL364265 0.79 NR4A2 (0.46) ALDH1A1SMN1; SMN2KDM4ENR4A2POLB
SCHEMBL364450 0.79 KMT2A (0.47) ALDH1A1SMN1; SMN2KDM4ENR4A2POLB

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