SCHEMBL7450385

SCHEMBL7450385

COc1ccccc1CCC(=O)N(C)Cc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.66
NPC1 O15118 3/20 0.62
RAB9A P51151 3/20 0.62
CDK4 P11802 1/20 0.56
BCHE P06276 6/20 0.53
ACHE P22303 6/20 0.53
CHRM2 P08172 1/20 0.53
CHRM1 P11229 1/20 0.53
MEN1 O00255 3/20 0.53
MAPK1 P28482 2/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
GAA P10253 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL4064581 0.80 KMT2A (1.00) KMT2ANPC1RAB9ACDK4MEN1
SCHEMBL31379599 0.80 AOC3 (0.51) KMT2ABCHEACHECHRM2CHRM1
SCHEMBL17886232 0.80 AOC3 (0.51) KMT2ABCHEACHECHRM2CHRM1
SCHEMBL7442885 0.79 KMT2A (0.77) KMT2ANPC1RAB9ABCHEACHE
SCHEMBL15892683 0.78 KMT2A (0.67) KMT2ANPC1RAB9ABCHEACHE
SCHEMBL23925502 0.78 AOC3 (0.61) KMT2ACDK4BCHEACHECHRM2
SCHEMBL362209 0.77 LMNA (0.59) SMN1; SMN2
SCHEMBL29590071 0.77 LMNA (0.59) SMN1; SMN2
SCHEMBL12289378 0.76 RAB9A (0.74) KMT2ANPC1RAB9ACDK4MEN1
Hydrochloric Acid SCHEMBL7413528 0.76 LMNA (0.57) SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828721-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1998-03-18 EP claimed
WO-1996037485-A1 2-AMINO-BENZOXAZINONES FOR THE TREATMENT OF VIRAL INFECTIONS G.D. SEARLE & CO. (US) 1996-11-28 WO claimed