SCHEMBL9301794

SCHEMBL9301794

CC(C)C1(Cc2ccc(C(=O)N(C)C3CCCCC3)cc2)Nc2ccccc2N1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.48
PTAFR P25105 1/20 0.47
ACACB O00763 2/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD11B2 P80365 1/20 0.43
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HPGD P15428 2/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CCR5 P51681 1/20 0.40
PDK2 Q15119 1/20 0.39

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 0.86 PTAFR (0.50) HSD11B1PTAFRACACBMEN1KMT2A
SCHEMBL9302869 0.83 PTAFR (0.48) HSD11B1PTAFRACACBMEN1KMT2A
SCHEMBL9302156 0.83 PTAFR (0.48) HSD11B1PTAFRACACBMEN1KMT2A
SCHEMBL9301925 0.83 PTAFR (0.47) HSD11B1PTAFRACACBMEN1KMT2A
SCHEMBL9305054 0.83 PTAFR (0.47) HSD11B1PTAFRACACBMEN1KMT2A
SCHEMBL9301708 0.82 HSD11B1 (0.47) HSD11B1PTAFRACACBMEN1KMT2A
SCHEMBL9302761 0.82 PDK2 (0.47) HSD11B1PTAFRACACBMEN1KMT2A
SCHEMBL9302553 0.81 PTAFR (0.46) HSD11B1PTAFRACACBMEN1KMT2A
SCHEMBL9303318 0.80 PTAFR (0.45) HSD11B1PTAFRACACBMEN1KMT2A
SCHEMBL9303513 0.79 HPGD (0.49) HSD11B1PTAFRACACBMEN1KMT2A

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