SCHEMBL9302553

SCHEMBL9302553

CN(C(=O)c1ccc(CC2([S+](C)[O-])Nc3ccccc3N2)cc1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.46
HSD11B1 P28845 3/20 0.44
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSD11B2 P80365 1/20 0.42
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
ACACB O00763 1/20 0.40
POLB P06746 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
PDK2 Q15119 1/20 0.38
AGER Q15109 3/20 0.37

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
SCHEMBL9301613 0.85 PTAFR (0.50) PTAFRHSD11B1ALDH1A1GAASMN1; SMN2
SCHEMBL9302156 0.82 PTAFR (0.48) PTAFRHSD11B1ALDH1A1GAASMN1; SMN2
SCHEMBL9302869 0.82 PTAFR (0.48) PTAFRHSD11B1ALDH1A1GAASMN1; SMN2
SCHEMBL9305054 0.81 PTAFR (0.47) PTAFRHSD11B1ALDH1A1GAASMN1; SMN2
SCHEMBL9301794 0.81 HSD11B1 (0.48) PTAFRHSD11B1ALDH1A1GAASMN1; SMN2
SCHEMBL9301925 0.81 PTAFR (0.47) PTAFRHSD11B1ALDH1A1GAASMN1; SMN2
SCHEMBL9301708 0.80 HSD11B1 (0.47) PTAFRHSD11B1ALDH1A1GAASMN1; SMN2
SCHEMBL9302761 0.80 PDK2 (0.47) PTAFRHSD11B1ALDH1A1GAASMN1; SMN2
SCHEMBL9303513 0.80 HPGD (0.49) PTAFRHSD11B1ALDH1A1GAASMN1; SMN2
SCHEMBL9303318 0.78 PTAFR (0.45) PTAFRHSD11B1ALDH1A1GAASMN1; 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO claimed
US-5314880-A Platelet activating factor antagonist BRITISH BIO-TECHNOLOGY LIMITED (GB) 1994-05-24 US disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed