SCHEMBL14390898

SCHEMBL14390898

COC(=O)c1ccc(COc2nc(-c3cccs3)cc(-c3ccoc3)c2N)cc1OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 8/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ NEK2 P51955 1/20 0.39
▸ KDM4E B2RXH2 5/20 0.39
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ ATR Q13535 2/20 0.37
▸ UBE2I P63279 2/20 0.36
▸ SAE1 Q9UBE0 2/20 0.36
▸ UBA2 Q9UBT2 2/20 0.36
▸ GAA P10253 3/20 0.36
▸ GLA P06280 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ POLB P06746 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36

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
SCHEMBL3594256 0.89 HPGD (0.48) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL3599184 0.82 HPGD (0.42) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL3592681 0.82 HPGD (0.49) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL3584306 0.81 HPGD (0.43) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14390693 0.80 ACMSD (0.46) HPGD
Tromethamine SCHEMBL3584303 0.79 HPGD (0.44) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL3588354 0.79 ALDH1A1 (0.41) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14390901 0.77 PTGES (0.38) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14391095 0.77 GAA (0.39) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL14391004 0.76 MAPT (0.45) KMT2AMEN1KDM4EMAPTALDH1A1

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-2007124546-A1 INTEGRASE INHIBITORS 3 AVEXA LIMITED (AU) 2007-11-08 — — WO disclosed
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