SCHEMBL7700237

SCHEMBL7700237

NCC(=O)NC(=O)N1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HTT P42858 3/20 0.42
RAB9A P51151 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 3/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 1/20 0.39
HSD11B1 P28845 1/20 0.38
NPC1 O15118 3/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL480202 0.98 GAA (0.42) GAAHTTRAB9ASMN1; SMN2TP53
SCHEMBL7698684 0.80 KMT2A (0.40) GAAHTTRAB9ASMN1; SMN2TP53
SCHEMBL6324391 0.78 GAA (0.43) GAAHTTRAB9ASMN1; SMN2TP53
SCHEMBL5406500 0.77 GAA (0.52) GAAHTTRAB9ASMN1; SMN2KMT2A
SCHEMBL4630170 0.76 KMT2A (0.47) GAAHTTRAB9ASMN1; SMN2TP53
SCHEMBL9184806 0.76 GAA (0.48) GAAHTTRAB9ASMN1; SMN2HPGD
SCHEMBL1882976 0.76 GAA (0.48) GAAHTTRAB9ASMN1; SMN2HPGD
SCHEMBL10475080 0.75 ALDH1A1 (0.45) GAAHTTRAB9ASMN1; SMN2TP53
SCHEMBL47339 0.74 KMT2A (0.46) GAAHTTRAB9ASMN1; SMN2KMT2A
SCHEMBL22179999 0.72 F2 (0.50) GAAHTTRAB9ASMN1; SMN2KMT2A

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-2002028829-A2 PEPTIDE DEFORMYLASE INHIBITORS QUESTCOR PHARMACEUTICALS, INC. (US) 2002-04-11 WO claimed