SCHEMBL9302142

SCHEMBL9302142

CN(C(=O)c1ccc(CC2(c3cscn3)Nc3ccccc3N2)cc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.44
HSD11B1 P28845 4/20 0.41
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HSD11B2 P80365 1/20 0.39
HPGD P15428 2/20 0.38
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACACB O00763 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
TSHR P16473 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
PDK2 Q15119 1/20 0.35

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
SCHEMBL9301925 0.82 PTAFR (0.47) PTAFRHSD11B1POLBMEN1KMT2A
SCHEMBL9301613 0.80 PTAFR (0.50) PTAFRHSD11B1POLBMEN1KMT2A
SCHEMBL9303513 0.79 HPGD (0.49) PTAFRHSD11B1POLBMEN1KMT2A
SCHEMBL9302869 0.77 PTAFR (0.48) PTAFRHSD11B1POLBMEN1KMT2A
SCHEMBL9302156 0.77 PTAFR (0.48) PTAFRHSD11B1POLBMEN1KMT2A
SCHEMBL9301794 0.76 HSD11B1 (0.48) PTAFRHSD11B1POLBMEN1KMT2A
SCHEMBL9305054 0.76 PTAFR (0.47) PTAFRHSD11B1POLBMEN1KMT2A
SCHEMBL9302761 0.75 PDK2 (0.47) PTAFRHSD11B1POLBMEN1KMT2A
SCHEMBL9301708 0.75 HSD11B1 (0.47) PTAFRHSD11B1POLBMEN1KMT2A
SCHEMBL9302553 0.75 PTAFR (0.46) PTAFRHSD11B1POLBMEN1KMT2A

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