SCHEMBL9302099

SCHEMBL9302099

CN(C1CCCCC1)S(=O)(=O)c1ccc(CC2(C)Nc3ccc([N+](=O)[O-])cc3N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.44
GAA P10253 3/20 0.42
LMNA P02545 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPT P10636 5/20 0.41
NAMPT P43490 3/20 0.41
MCOLN3 Q8TDD5 1/20 0.40
PTAFR P25105 1/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL9302513 0.86 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9303481 0.85 ALDH1A1 (0.50) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9302837 0.85 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9302515 0.75 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9301340 0.74 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9302097 0.71 PTAFR (0.72) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL12188831 0.70 HTR2A (0.72) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL10474862 0.70 PTAFR (0.50) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL29181772 0.69 CA12 (0.53) ALDH1A1MEN1KMT2AKDM4EGAA
SCHEMBL9304267 0.69 ALDH1A1 (0.49) ALDH1A1MEN1KMT2AKDM4EGAA

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