SCHEMBL6687419

SCHEMBL6687419

CC(C)(C)OC(=O)N1C(=O)CC1/C=C/c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 1/20 0.47
PTPN1 P18031 1/20 0.41
HTT P42858 1/20 0.40
PTGS2 P35354 4/20 0.39
PTGS1 P23219 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
USP18 Q9UMW8 1/20 0.38
UCHL5 Q9Y5K5 1/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
APP P05067 1/20 0.38
FBP1 P09467 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
SCHEMBL6687420 1.00 LMNA (0.47) LMNAALDH1A1MAPTPTPN1HTT
SCHEMBL6686710 0.87 MAPT (0.48) LMNAALDH1A1MAPTSMN1; SMN2MAOB
SCHEMBL6686703 0.87 MAPT (0.48) LMNAALDH1A1MAPTSMN1; SMN2MAOB
SCHEMBL6686706 0.87 MAPT (0.48) LMNAALDH1A1MAPTSMN1; SMN2MAOB
SCHEMBL6690143 0.84 GPR119 (0.41) LMNAMAPTPTPN1SMN1; SMN2KMT2A
SCHEMBL6690141 0.84 GPR119 (0.41) LMNAMAPTPTPN1SMN1; SMN2KMT2A
SCHEMBL6687262 0.82 ALDH1A1 (0.43) LMNAALDH1A1PTPN1SMN1; SMN2MAOB
SCHEMBL6687260 0.82 ALDH1A1 (0.43) LMNAALDH1A1PTPN1SMN1; SMN2MAOB
SCHEMBL6685702 0.80 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AMAOB
SCHEMBL6685695 0.80 ALDH1A1 (0.43) ALDH1A1MAPTMEN1KMT2AMAOB

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-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed