SCHEMBL9503149

SCHEMBL9503149

CCSc1ccc(C(=O)NCCCOC)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.65
LMNA P02545 3/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 7/20 0.54
PRMT5 O14744 1/20 0.53
WDR77 Q9BQA1 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HSP90AA1 P07900 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL9361163 0.81 ALDH1A1 (0.57) ALDH1A1LMNAPOLBMAPTPRMT5
SCHEMBL9506092 0.81 ALDH1A1 (0.58) ALDH1A1POLBMAPTSMN1; SMN2KMT2A
SCHEMBL23768982 0.80 HPGD (0.63) ALDH1A1LMNAPOLBMAPTSMN1; SMN2
SCHEMBL9361525 0.79 LMNA (0.57) ALDH1A1LMNAPOLBMAPTPRMT5
SCHEMBL3603021 0.79 ALDH1A1 (0.74) ALDH1A1LMNAPOLBMAPTPRMT5
SCHEMBL17761132 0.78 LMNA (0.56) ALDH1A1LMNAPOLBMAPTPRMT5
SCHEMBL15999477 0.78 ALDH1A1 (0.72) ALDH1A1LMNAPOLBMAPTPRMT5
SCHEMBL16324795 0.76 ALDH1A1 (0.67) ALDH1A1LMNAPOLBMAPTPRMT5
SCHEMBL21081374 0.76 ALDH1A1 (0.51) ALDH1A1LMNAPOLBMAPTPRMT5
SCHEMBL9503748 0.75 MAPT (0.56) ALDH1A1LMNAPOLBMAPTSMN1; SMN2

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-0543865-A1 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1993-06-02 EP disclosed
WO-1992003412-A2 BENZAMIDE DERIVATIVES RHONE-POULENC RORER LIMITED (GB) 1992-03-05 WO disclosed