SCHEMBL2668397

SCHEMBL2668397

CC1Nc2ccc(CN3C(=O)c4ccccc4C3SCC(=O)Nc3ccccn3)cc2C1C

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
TDP1 Q9NUW8 2/20 0.37
TP53 P04637 1/20 0.36
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PRMT5 O14744 2/20 0.36
WDR77 Q9BQA1 2/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 2/20 0.34
GLA P06280 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
SCHEMBL1619123 0.83 TP53 (0.46) KDM4ETDP1TP53ALDH1A1MAPT
SCHEMBL1619405 0.81 KDM4E (0.49) KDM4ETDP1ALDH1A1POLBSMN1; SMN2
SCHEMBL1619176 0.80 RAB9A (0.39) KDM4ETDP1TP53ALDH1A1SMN1; SMN2
SCHEMBL1617826 0.80 HPGD (0.55) KDM4ETDP1ALDH1A1POLBSMN1; SMN2
SCHEMBL1619404 0.80 ALDH1A1 (0.49) TDP1TP53ALDH1A1POLBSMN1; SMN2
SCHEMBL1619269 0.79 KMT2A (0.49) KDM4ETDP1TP53ALDH1A1SMN1; SMN2
SCHEMBL1619379 0.79 KDM4E (0.41) KDM4ETDP1TP53ALDH1A1ITGB3
SCHEMBL1618951 0.79 KDM4E (0.39) KDM4ETDP1TP53ALDH1A1POLB
SCHEMBL1619203 0.78 CHRM1 (0.43) KDM4ETDP1ALDH1A1ITGB3ITGAV
SCHEMBL1619459 0.77 SCN9A (0.52)

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-2007053662-A1 DIHYDROISOINDOLONES AS ALLOSTERIC MODULATORS OF GLUCOKINASE JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed