SCHEMBL8545986

SCHEMBL8545986

C[SiH](C)OC(Cc1ccc(C#N)cc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.42
LOXL2 Q9Y4K0 2/20 0.40
KIF11 P52732 1/20 0.35
MAOB P27338 3/20 0.34
MAOA P21397 1/20 0.34
EPHX2 P34913 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
HRH3 Q9Y5N1 2/20 0.33
KCNJ1 P48048 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP19A1 P11511 1/20 0.33
ALOX5 P09917 1/20 0.32
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL5871994 0.79 MME (0.37) IDO1
SCHEMBL9701765 0.79 TRPA1 (0.30) ALDH1A1TSHR
SCHEMBL9185293 0.78 TRPA1 (0.40) CYP2A6MAOA
SCHEMBL5872189 0.76 MEN1 (0.39)
SCHEMBL5871216 0.76 PPARA (0.40) ALDH1A1TSHRALOX5
SCHEMBL9602863 0.76 CYP3A4 (0.40) LOXL2ALDH1A1HSD17B10CYP19A1RAB9A
SCHEMBL8807198 0.75 ALDH1A1 (0.36) CYP2A6EPHX2ALDH1A1TSHRRAB9A
SCHEMBL9602332 0.73 PDE4A (0.35) KCNH2
SCHEMBL8812550 0.72 CYP19A1 (0.39) CYP2A6KIF11ALDH1A1TSHRCYP19A1
SCHEMBL8686886 0.72 NPC1 (0.40) TSHRHRH3RAB9ANPC1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5821255-A REGULATING THE SECRETION OF CORTICOTROPIN, BETA-ENDORPHIN OR PEPTIDES DERIVED FROM PROOPIOMELANOCORTIN SANOFI (FR) 1998-10-13 US disclosed
EP-0659747-B1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-04-01 EP disclosed
US-5602132-A USEFUL IN TREATMENT OF PATHOLOGIES INVOLVING CORTICOTROPIN RELEASING FACTOR SANOFI (FR) 1997-02-11 US disclosed
CN-1127252-A Branched-amino-sbustituted thiazoles, processes for their preparation and the pharmaceutical compositions which contain them SANOFI SA (FR) 1996-07-24 CN disclosed
EP-0659747-A1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-06-28 EP disclosed