SCHEMBL9302224

SCHEMBL9302224

CN(C(=O)c1ccc(CC(S)(S)c2nc3ccccc3[nH]2)cc1)C1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 1/20 0.52
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ITK Q08881 1/20 0.43
POLB P06746 1/20 0.42
HSD17B10 Q99714 1/20 0.41
HRH3 Q9Y5N1 4/20 0.40
HPGD P15428 1/20 0.40
HSD11B1 P28845 1/20 0.40
HSD11B2 P80365 1/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 3/20 0.39
CNR2 P34972 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL9302033 0.82 HPGD (0.60) PTAFRMEN1KMT2AITKPOLB
SCHEMBL9302149 0.77 AR (0.55) PTAFRMEN1KMT2APOLBHPGD
SCHEMBL9303110 0.77 PTAFR (0.52) PTAFRMEN1KMT2AITKPOLB
SCHEMBL18924427 0.76 KDM4E (0.56) PTAFRMEN1KMT2AITKPOLB
SCHEMBL9302077 0.76 AR (0.55) PTAFRMEN1KMT2APOLBLMNA
SCHEMBL9301867 0.75 SMN1; SMN2 (0.53) PTAFRMEN1KMT2AITKPOLB
SCHEMBL9303194 0.74 PTAFR (0.48) PTAFRMEN1KMT2AITKPOLB
SCHEMBL9303440 0.73 HPGD (0.51) PTAFRMEN1KMT2AITKPOLB
SCHEMBL9302140 0.72 SMN1; SMN2 (0.47) PTAFRMEN1KMT2AITKPOLB
SCHEMBL9302074 0.72 PTAFR (0.46) PTAFRMEN1KMT2AITKPOLB

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
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