SCHEMBL9303481

SCHEMBL9303481

Cc1cc2c(cc1C)NC(C)(Cc1ccc(S(=O)(=O)N(C)C3CCCCC3)cc1)N2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
KDM4E B2RXH2 2/20 0.50
LMNA P02545 3/20 0.47
GAA P10253 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
PTAFR P25105 1/20 0.46
MCOLN3 Q8TDD5 1/20 0.45
NAMPT P43490 3/20 0.44
MAPT P10636 3/20 0.44
HTT P42858 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HTR2A P28223 3/20 0.44
HTR2C P28335 3/20 0.44
ALOX15 P16050 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PKM P14618 1/20 0.42
PTGDR2 Q9Y5Y4 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
SCHEMBL9302837 0.88 ALDH1A1 (0.59) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9302513 0.87 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9302099 0.85 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL10474862 0.81 PTAFR (0.50) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9302515 0.78 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9301340 0.76 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL12188831 0.75 HTR2A (0.72) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL400238 0.73 ALDH1A1 (0.65) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL9303072 0.73 ALDH1A1 (0.73) ALDH1A1MEN1KMT2AKDM4ELMNA
SCHEMBL13176112 0.72 HTR2A (0.73) ALDH1A1MEN1KMT2AKDM4ELMNA

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