SCHEMBL9404708

SCHEMBL9404708

CC(=CN(C)C)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 6/20 0.61
CYP11B2 P19099 4/20 0.61
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CES2 O00748 3/20 0.54
CES1 P23141 3/20 0.54
MAPT P10636 2/20 0.51
CYP1A2 P05177 1/20 0.51
HPGD P15428 1/20 0.51
ALOX12 P18054 1/20 0.51
CYP2C19 P33261 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
POLB P06746 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL9404707 1.00 CYP11B1 (0.61) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
SCHEMBL4112665 0.84 CYP11B1 (0.59) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
SCHEMBL4112664 0.84 CYP11B1 (0.59) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
SCHEMBL12375861 0.83 CES2 (0.56) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
SCHEMBL25832729 0.83 CPT1B (0.47) CYP11B1CYP11B2SMN1; SMN2MEN1KMT2A
SCHEMBL9475635 0.82 CYP11B1 (0.58) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
SCHEMBL19835872 0.81 CYP11B1 (0.61) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
SCHEMBL21049318 0.81 CYP11B1 (0.61) CYP11B1CYP11B2SMN1; SMN2ALDH1A1MEN1
SCHEMBL16847938 0.81 CES2 (0.54) CYP11B1CYP11B2SMN1; SMN2ALDH1A1CES2
SCHEMBL8798863 0.81 CES2 (0.54) SMN1; SMN2ALDH1A1MEN1KMT2ACES2

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-0329940-B1 5-(substituted)amino)-8- (phenyl or substituted phenyl)-3H,6H-1,2,5,a,8 a-tetraazaacenaphthylen-3-ones AMERICAN CYANAMID CO (US) 1994-01-05 EP disclosed
US-4916137-A 5-(Substituted-amino)-8-(phenyl or substituted-phenyl)-3H,6H-1,4,5A,8A-tetraazaacenaphthylen-3-ones and treatment of neural behavior disorders AMERICAN CYANAMID COMPANY (US) 1990-04-10 US disclosed
US-4847256-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1989-07-11 US disclosed
EP-0264773-A1 4,5-dihydro and 4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidines AMERICAN CYANAMID COMPANY (US) 1988-04-27 EP disclosed