SCHEMBL9322133

SCHEMBL9322133

CCCN(CCC)c1ccc(C(O)C(C)Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CNR2 P34972 7/20 0.43
EGFR P00533 3/20 0.40
ERBB2 P04626 3/20 0.40
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
ESRRG P62508 1/20 0.34
CASR P41180 1/20 0.33
LMNA P02545 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL28495868 0.82 MEN1 (0.47) MEN1KMT2AHTTSMN1; SMN2CNR2
SCHEMBL12056655 0.77 EGFR (0.46) MEN1KMT2AHTTSMN1; SMN2CNR2
SCHEMBL9323490 0.77 LMNA (0.50) MEN1KMT2AHTTSMN1; SMN2CNR2
SCHEMBL659228 0.75 CNR2 (0.46) MEN1KMT2AHTTSMN1; SMN2CNR2
SCHEMBL7150414 0.74 EGFR (0.47) MEN1KMT2AHTTSMN1; SMN2CNR2
SCHEMBL17531379 0.74 CNR2 (0.43) MEN1KMT2AHTTSMN1; SMN2CNR2
SCHEMBL1305857 0.72 CNR2 (0.44) MEN1KMT2AHTTSMN1; SMN2CNR2
SCHEMBL2139359 0.72 CNR2 (0.44) MEN1KMT2AHTTSMN1; SMN2CNR2
SCHEMBL2138070 0.72 CNR2 (0.44) MEN1KMT2AHTTSMN1; SMN2CNR2
SCHEMBL5195399 0.71 GRK6 (0.49) MEN1KMT2AHTTSMN1; SMN2CNR2

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-0402667-B1 Diarylimidazoles BOEHRINGER MANNHEIM GMBH (DE) 1994-02-02 EP disclosed
US-5274095-A A 4-(4-(julolid-9-yl)imidazol-2-yl-2,6-ditert-butyl-phenol derivative BOEHRINGER MANNHEIM GMBH (DE) 1993-12-28 US disclosed
US-5162200-A METHOD FOR DETERMINATION OF A PEROXIDATE-ACTING SUBSTANCE WITH A DIARYLIMIDAZOLE COMPOUND BOEHRINGER MANNEHEIM GMBH (DE) 1992-11-10 US disclosed
EP-0402667-A1 Diarylimidazoles Roche Diagnostics GmbH (DE) 1990-12-19 EP disclosed