SCHEMBL5243546

SCHEMBL5243546

Nc1cc(F)c(N2C=CC(=O)NCC2)c(F)c1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL5243502 0.98 ALOX5 (0.30) ALOX5ALDH1A1MAPTSMN1; SMN2
SCHEMBL5838810 0.78 CYP2E1 (0.39) SMN1; SMN2
SCHEMBL16702126 0.76 ALDH1A1 (0.39) ALOX5ALDH1A1MAPTSMN1; SMN2
SCHEMBL5243514 0.71
SCHEMBL5246863 0.70 ALDH1A1 (0.38) ALDH1A1MAPTSMN1; SMN2
SCHEMBL22171244 0.65 ALDH1A1 (0.51) ALDH1A1MAPTSMN1; SMN2
SCHEMBL12853572 0.64
SCHEMBL5622837 0.63 ALDH1A1 (0.41) ALDH1A1MAPTSMN1; SMN2
SCHEMBL16701552 0.62 ALDH1A1 (0.46) ALOX5ALDH1A1MAPTSMN1; SMN2
SCHEMBL26981511 0.62 KMT2A (0.50) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1819699-A2 DIAZEPINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company LLC (US) 2007-08-22 EP disclosed
WO-2006056877-A2 DIAZEPINE OXAZOLIDINONES AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2006-06-01 WO disclosed