SCHEMBL9301708

SCHEMBL9301708

CN(C(=O)c1ccc(CC2(S(C)(=O)=O)Nc3ccccc3N2)cc1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.47
HSD11B2 P80365 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PTAFR P25105 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 2/20 0.41
TSHR P16473 1/20 0.41
ACACB O00763 1/20 0.41
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CNR2 P34972 1/20 0.41
PDK2 Q15119 1/20 0.39
MAPK1 P28482 1/20 0.38
AGER Q15109 1/20 0.38

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) HSD11B1HSD11B2ALDH1A1GAASMN1; SMN2
SCHEMBL9302869 0.83 PTAFR (0.48) HSD11B1HSD11B2ALDH1A1GAASMN1; SMN2
SCHEMBL9302156 0.83 PTAFR (0.48) HSD11B1HSD11B2ALDH1A1GAASMN1; SMN2
SCHEMBL9301794 0.82 HSD11B1 (0.48) HSD11B1HSD11B2ALDH1A1GAASMN1; SMN2
SCHEMBL9301925 0.82 PTAFR (0.47) HSD11B1HSD11B2ALDH1A1GAASMN1; SMN2
SCHEMBL9305054 0.82 PTAFR (0.47) HSD11B1HSD11B2ALDH1A1GAASMN1; SMN2
SCHEMBL9302761 0.81 PDK2 (0.47) HSD11B1HSD11B2ALDH1A1GAASMN1; SMN2
SCHEMBL9302553 0.80 PTAFR (0.46) HSD11B1HSD11B2ALDH1A1GAASMN1; SMN2
SCHEMBL9303318 0.79 PTAFR (0.45) HSD11B1HSD11B2ALDH1A1GAASMN1; SMN2
SCHEMBL9303513 0.78 HPGD (0.49) HSD11B1HSD11B2ALDH1A1GAASMN1; 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 4 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
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP disclosed
WO-1990009997-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1990-09-07 WO disclosed