SCHEMBL9503158

SCHEMBL9503158

CCc1ccc(C(=S)NCCCOC)cc1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.55
SMN1; SMN2 Q16637 3/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
LMNA P02545 3/20 0.52
POLB P06746 2/20 0.52
PDK1 Q15118 1/20 0.47
GAA P10253 3/20 0.46
HCAR3 P49019 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
MAPT P10636 4/20 0.45
RAB9A P51151 2/20 0.45
PTGER4 P35408 1/20 0.45
NPC1 O15118 1/20 0.43
ALOX12 P18054 1/20 0.43
HPGD P15428 2/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL9506095 0.81 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2POLBGAAMAPT
SCHEMBL9361172 0.79 GAA (0.69) ALDH1A1SMN1; SMN2HTTLMNAPOLB
SCHEMBL9361535 0.75 SMN1; SMN2 (0.53) ALDH1A1SMN1; SMN2HTTLMNAPOLB
SCHEMBL2953971 0.74 PDK1 (0.62) ALDH1A1HTTLMNAPOLBPDK1
Bromide SCHEMBL12474018 0.73 PDK1 (0.52) ALDH1A1SMN1; SMN2HTTL3MBTL1LMNA
SCHEMBL9503149 0.72 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2HTTLMNAPOLB
SCHEMBL9502336 0.71 GAA (0.44) ALDH1A1SMN1; SMN2HTTL3MBTL1GAA
SCHEMBL14428567 0.71 PDK1 (0.62) ALDH1A1SMN1; SMN2HTTLMNAPDK1
SCHEMBL3603021 0.71 ALDH1A1 (0.74) ALDH1A1SMN1; SMN2HTTL3MBTL1LMNA
SCHEMBL26247 0.71 LMNA (0.56) ALDH1A1SMN1; SMN2LMNAPOLBPDK1

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