SCHEMBL13943387

SCHEMBL13943387

Cc1ccc(Nc2nc(N/N=C/c3ccc(N4CCOCC4)cc3)nc(N3CCOCC3)n2)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.60
▸ GAA P10253 5/20 0.60
▸ LMNA P02545 3/20 0.60
▸ POLB P06746 2/20 0.60
▸ KMT2A Q03164 6/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ ATM Q13315 1/20 0.54
▸ MEN1 O00255 4/20 0.51
▸ HTT P42858 4/20 0.51
▸ ALDH1A1 P00352 7/20 0.49
▸ KDM4E B2RXH2 7/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ RAB9A P51151 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ HPGD P15428 2/20 0.48
▸ NPSR1 Q6W5P4 2/20 0.48
▸ THRB P10828 1/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ TP53 P04637 1/20 0.47

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
SCHEMBL13944049 0.89 MAPT (0.60) MAPTGAALMNAPOLBKMT2A
SCHEMBL22737771 0.81 KMT2A (0.57) MAPTGAALMNAPOLBKMT2A
SCHEMBL22737390 0.79 GBA1 (0.47) MAPTGAALMNAPOLBKMT2A
SCHEMBL13942939 0.78 KMT2A (0.47) MAPTGAALMNAPOLBKMT2A
SCHEMBL8239323 0.77 MAPT (0.51) MAPTGAALMNAPOLBKMT2A
SCHEMBL23345459 0.77 KMT2A (0.72) MAPTGAALMNAKMT2ASMN1; SMN2
SCHEMBL23345481 0.76 KMT2A (0.70) MAPTGAALMNAPOLBKMT2A
SCHEMBL22737355 0.76 MAPT (0.57) MAPTGAALMNAPOLBKMT2A
SCHEMBL13091227 0.76 MAPT (0.61) MAPTGAALMNAPOLBKMT2A
SCHEMBL23345439 0.74 KMT2A (0.67) MAPTGAALMNAPOLBKMT2A

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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