SCHEMBL9302513

SCHEMBL9302513

CN(C1CCCCC1)S(=O)(=O)c1ccc(CC2(C)Nc3ccc(Cl)cc3N2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
HTR2A P28223 2/20 0.45
HTR2C P28335 2/20 0.45
LMNA P02545 3/20 0.44
LSS P48449 1/20 0.44
PTAFR P25105 1/20 0.43
NAMPT P43490 3/20 0.42
MCOLN3 Q8TDD5 1/20 0.42
MAPT P10636 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41

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
SCHEMBL9303481 0.87 ALDH1A1 (0.50) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL9302837 0.87 ALDH1A1 (0.59) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL9302099 0.86 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL9302515 0.77 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL9301340 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL12188831 0.71 HTR2A (0.72) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL9302302 0.71 CXCR4 (0.48) ALDH1A1MEN1KMT2ALMNANAMPT
SCHEMBL10474862 0.71 PTAFR (0.50) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL9304267 0.71 ALDH1A1 (0.49) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL400238 0.70 ALDH1A1 (0.65) ALDH1A1KDM4EMEN1KMT2AGAA

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
EP-0468971-A1 NOVEL BENZIMIDAZOLE DERIVATIVES BRITISH BIO-TECHNOLOGY LIMITED (GB) 1992-02-05 EP 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