SCHEMBL13942499

SCHEMBL13942499

O=C(Oc1ccc(/C=N/Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1)c1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 13/20 0.64
▸ KMT2A Q03164 13/20 0.64
▸ MEN1 O00255 10/20 0.64
▸ LMNA P02545 7/20 0.64
▸ GAA P10253 6/20 0.64
▸ HTT P42858 4/20 0.64
▸ RECQL P46063 1/20 0.64
▸ TDP1 Q9NUW8 1/20 0.64
▸ TEX264 Q9Y6I9 1/20 0.64
▸ ALDH1A1 P00352 5/20 0.58
▸ POLB P06746 1/20 0.58
▸ DDX3X O00571 1/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ NPSR1 Q6W5P4 2/20 0.53
▸ PKM P14618 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51

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
SCHEMBL13091225 0.86 KMT2A (0.84) MAPTKMT2AMEN1LMNAGAA
SCHEMBL22737807 0.81 MAPT (0.68) MAPTKMT2AMEN1LMNAGAA
SCHEMBL27776229 0.81 MAPT (0.58) MAPTKMT2AMEN1LMNAGAA
SCHEMBL1659816 0.80 MAPT (0.62) MAPTKMT2AMEN1LMNAGAA
SCHEMBL1659812 0.80 MAPT (0.62) MAPTKMT2AMEN1LMNAGAA
SCHEMBL13883261 0.80 CTSS (0.60) MAPTKMT2AMEN1LMNAGAA
SCHEMBL13091224 0.79 KMT2A (0.71) MAPTKMT2AMEN1LMNAGAA
SCHEMBL13942700 0.79 MAPT (0.55) MAPTKMT2AMEN1LMNAGAA
SCHEMBL13100734 0.79 MAPT (0.62) MAPTKMT2AMEN1LMNAGAA
SCHEMBL8909361 0.78 CTSS (0.63) MAPTKMT2AMEN1LMNAGAA

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
EP-2194783-B1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC (US) 2017-07-05 — — EP disclosed
WO-2009023558-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. (US) 2009-02-19 — — WO disclosed
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