SCHEMBL13942699

SCHEMBL13942699

O=[N+]([O-])c1ccc(/C=N/Nc2nc(Nc3ccc(F)cc3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 10/20 0.77
▸ MEN1 O00255 9/20 0.77
▸ HTT P42858 7/20 0.77
▸ MAPT P10636 10/20 0.68
▸ ALDH1A1 P00352 7/20 0.68
▸ LMNA P02545 6/20 0.68
▸ TDP1 Q9NUW8 3/20 0.68
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ NPSR1 Q6W5P4 4/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ AKR1C3 P42330 1/20 0.59
▸ AKR1C1 Q04828 1/20 0.59
▸ CTSL P07711 1/20 0.58
▸ CTSB P07858 1/20 0.58
▸ CTSS P25774 1/20 0.58
▸ CTSK P43235 1/20 0.58
▸ GAA P10253 1/20 0.55

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
SCHEMBL13944051 0.90 LMNA (0.70) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL13100734 0.83 MAPT (0.62) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL11913699 0.83 MAPT (0.55) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL1659816 0.81 MAPT (0.62) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL1659812 0.81 MAPT (0.62) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL14438981 0.81 MEN1 (0.78) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL18953055 0.81 CTSL (0.79) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL18953047 0.81 CTSL (0.79) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL13576487 0.81 LMNA (0.81) KMT2AMEN1HTTMAPTALDH1A1
SCHEMBL22337232 0.80 KMT2A (0.83) KMT2AMEN1HTTMAPTALDH1A1

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-2009023558-A1 COMPOSITIONS AND METHODS FOR APOPTOSIS MODULATORS VM DISCOVERY INC. (US) 2009-02-19 — — WO disclosed
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