SCHEMBL9506092

SCHEMBL9506092

CCSc1ccc(C(=O)NCCCOC)cc1N

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.58
HPGD P15428 7/20 0.51
PTGER4 P35408 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD17B10 Q99714 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 1/20 0.44
GAA P10253 2/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 2/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
NAMPT P43490 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL9675578 0.88 SMN1; SMN2 (0.56) ALDH1A1HPGDKMT2AHSD17B10SMN1; SMN2
SCHEMBL9675538 0.85 NAMPT (0.45) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL9503149 0.81 ALDH1A1 (0.65) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL11571129 0.79 ALDH1A1 (0.65) ALDH1A1HPGDKMT2ASMN1; SMN2POLB
SCHEMBL9361444 0.79 HPGD (0.56) ALDH1A1HPGDPTGER4KMT2AHSD17B10
SCHEMBL14094315 0.78 ALDH1A1 (0.67) ALDH1A1HPGDPTGER4SMN1; SMN2POLB
SCHEMBL9502331 0.77 ACAT1 (0.54) ALDH1A1HPGDSMN1; SMN2GAARAB9A
SCHEMBL9502125 0.77 ACAT1 (0.54) ALDH1A1HPGDSMN1; SMN2GAARAB9A
SCHEMBL1468005 0.77 PTGER4 (0.69) ALDH1A1HPGDPTGER4HSD17B10SMN1; SMN2
SCHEMBL9362329 0.76 SMN1; SMN2 (0.57) ALDH1A1HPGDKMT2AHSD17B10SMN1; 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