SCHEMBL13942939

SCHEMBL13942939

Cc1ccc(Nc2nc(N/N=C/c3ccc(OCc4ccc(Cl)cc4Cl)c(O)c3)nc(N3CCOCC3)n2)c(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ ALDH1A1 P00352 6/20 0.44
▸ GAA P10253 5/20 0.44
▸ MAPT P10636 11/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ LMNA P02545 3/20 0.43
▸ GBA1 P04062 1/20 0.42
▸ HTT P42858 3/20 0.42
▸ AKR1C3 P42330 1/20 0.42
▸ AKR1C1 Q04828 1/20 0.42
▸ NPSR1 Q6W5P4 3/20 0.41
▸ PKM P14618 1/20 0.41
▸ HPGD P15428 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MPI P34949 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL13943387 0.78 MAPT (0.60) KMT2ASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL22737390 0.76 GBA1 (0.47) KMT2ASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL13944049 0.69 MAPT (0.60) KMT2ASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL22737561 0.68 GBA1 (0.49) KMT2ASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL8239323 0.68 MAPT (0.51) KMT2ASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL26115021 0.67 MAPT (0.80) KMT2ASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL31653615 0.67 MAPT (0.80) KMT2ASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL26135108 0.67 MAPT (0.80) KMT2ASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL22737355 0.67 MAPT (0.57) KMT2ASMN1; SMN2ALDH1A1GAAMAPT
SCHEMBL22737771 0.67 KMT2A (0.57) KMT2ASMN1; SMN2GAAMAPTMEN1

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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