SCHEMBL14183129

SCHEMBL14183129

CC(C)(C)OC(=O)Nc1ccc(-c2ccccc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.53
DEGS1 O15121 1/20 0.48
GSK3B P49841 1/20 0.47
DYRK1A Q13627 1/20 0.47
WNT3A P56704 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRIN2B Q13224 1/20 0.47
HDAC1 Q13547 1/20 0.44
CYP17A1 P05093 1/20 0.44

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
SCHEMBL5543076 0.89 BCL2 (0.52) BCL2DEGS1GSK3BDYRK1AGRIN2B
SCHEMBL23193793 0.86 BCL2 (0.48) BCL2GSK3BDYRK1ACYP17A1
SCHEMBL29627265 0.86 BCL2 (0.48) BCL2GSK3BDYRK1ACYP17A1
SCHEMBL31378469 0.85 BCL2 (0.49) BCL2GSK3BDYRK1AKMT2AGRIN2B
SCHEMBL31737264 0.85 GSK3B (0.45) BCL2GSK3BDYRK1AGRIN2BHDAC1
SCHEMBL5545025 0.85 BCL2 (0.48) BCL2DEGS1GSK3BDYRK1AGRIN2B
SCHEMBL23166130 0.82 CDK8 (0.50) BCL2GSK3BDYRK1ACYP17A1
SCHEMBL3833158 0.82 F10 (0.50) BCL2GSK3BDYRK1AGRIN2BHDAC1
SCHEMBL12403311 0.81 GSK3B (0.47) BCL2GSK3BDYRK1AMEN1KMT2A
SCHEMBL21566049 0.81 RAB9A (0.49) BCL2GSK3BDYRK1AMEN1KMT2A

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
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed
US-7368458-B2 Bicyclic heterocycles as cannabinoid receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-06 US disclosed