SCHEMBL6824926

SCHEMBL6824926

C[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.54
CA1 P00915 1/20 0.54
MMP2 P08253 1/20 0.54
MMP9 P14780 1/20 0.54
MMP8 P22894 1/20 0.54
MMP14 P50281 1/20 0.54
ALDH1A1 P00352 6/20 0.52
RECQL P46063 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPT P10636 4/20 0.51
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 3/20 0.50
GAA P10253 2/20 0.50
LMNA P02545 1/20 0.48
GLA P06280 1/20 0.48
KCNH3 Q9ULD8 1/20 0.48
POLB P06746 1/20 0.46
NPC1 O15118 1/20 0.44

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
SCHEMBL9358455 0.91 MAPT (0.47) CA12CA1MMP2MMP9MMP8
SCHEMBL9358446 0.91 MAPT (0.47) CA12CA1MMP2MMP9MMP8
SCHEMBL6670391 0.87 CA12 (0.51) CA12CA1MMP2MMP9MMP8
SCHEMBL28142388 0.84 ALDH1A1 (0.64) CA12CA1MMP2MMP9MMP8
SCHEMBL6851287 0.83 ALDH1A1 (0.52) CA12CA1MMP2MMP9MMP8
SCHEMBL11612514 0.83 ALDH1A1 (0.53) CA12CA1MMP2MMP9MMP8
SCHEMBL3866264 0.82 CA12 (0.57) CA12CA1MMP2MMP9MMP8
SCHEMBL20578009 0.82 MEN1 (0.53) CA12CA1MMP2MMP9MMP8
SCHEMBL4616467 0.81 MAPT (0.59) CA12CA1MMP2MMP9MMP8
SCHEMBL11615334 0.81 MAPT (0.54) CA12CA1MMP2MMP9MMP8

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-2004063175-A1 A NOVEL AND AN IMPROVED PROCESS FOR THE PREPARATION OF (S)-4-(4-AMINOBENZYL)-2- OXAZOLIDINONE NATCO PHARMA LIMITED (IN) 2004-07-29 WO disclosed