SCHEMBL9323490

SCHEMBL9323490

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

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
CNR2 P34972 8/20 0.46
EGFR P00533 1/20 0.39
ERBB2 P04626 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PGR P06401 1/20 0.36
ESRRG P62508 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36

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) MEN1HTTKMT2ASMN1; SMN2CNR2
SCHEMBL659228 0.79 CNR2 (0.46) LMNAMEN1HTTKMT2ASMN1; SMN2
SCHEMBL1607138 0.78 LMNA (0.75) LMNASMN1; SMN2ALDH1A1TSHRL3MBTL1
SCHEMBL7150414 0.78 EGFR (0.47) MEN1HTTKMT2ASMN1; SMN2CNR2
SCHEMBL6055232 0.78 LMNA (0.56) LMNAMEN1KMT2AALDH1A1TSHR
SCHEMBL12056655 0.78 EGFR (0.46) MEN1HTTKMT2ASMN1; SMN2CNR2
SCHEMBL9322133 0.77 MEN1 (0.43) LMNAMEN1HTTKMT2ASMN1; SMN2
SCHEMBL2139359 0.76 CNR2 (0.44) MEN1HTTKMT2ASMN1; SMN2CNR2
SCHEMBL1305857 0.76 CNR2 (0.44) MEN1HTTKMT2ASMN1; SMN2CNR2
SCHEMBL2138070 0.76 CNR2 (0.44) MEN1HTTKMT2ASMN1; 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