SCHEMBL9044246

SCHEMBL9044246

O=C(O)C1CN(Cc2ccc(Br)cc2)C(=O)C1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41
HDAC5 Q9UQL6 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
ACHE P22303 1/20 0.38
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL9043612 0.86 POLB (0.46) HTTSMN1; SMN2KMT2AALDH1A1HPGD
SCHEMBL9044339 0.82 ALDH1A1 (0.41) HTTSMN1; SMN2HDAC1KMT2AMEN1
SCHEMBL9042078 0.82 GRM5 (0.47) SMN1; SMN2KMT2AMEN1ACHEALDH1A1
SCHEMBL9041028 0.81 ALDH1A1 (0.58) HTTSMN1; SMN2KMT2AMEN1ALDH1A1
SCHEMBL9043663 0.71 L3MBTL1 (0.46) HTTSMN1; SMN2ALDH1A1LMNAHPGD
SCHEMBL11492920 0.71 FKBP1A (0.48) SMN1; SMN2KMT2AMEN1CHRM5CHRM1
SCHEMBL9042445 0.71 LMNA (0.42) HTTSMN1; SMN2HDAC3HDAC4HDAC1
SCHEMBL1823633 0.71 ALDH1A1 (0.52) HTTSMN1; SMN2ALDH1A1LMNAKDM4E
SCHEMBL14829141 0.71 ALDH1A1 (0.44) SMN1; SMN2ALDH1A1
SCHEMBL9042862 0.70 L3MBTL1 (0.50) SMN1; SMN2KMT2AMEN1ALDH1A1LMNA

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
EP-0553130-B1 PYRROLIDINE DIONE DERIVATIVES PFIZER (US) 1996-01-03 EP claimed