SCHEMBL7299455

SCHEMBL7299455

CC1(C)C=C(n2ccc(O)cc2=O)c2ccncc2O1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNC P24863 20/20 0.40
CDK8 P49336 20/20 0.40
HASPIN Q8TF76 19/20 0.40
CDK19 Q9BWU1 12/20 0.40

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
SCHEMBL7293261 0.91 CCNC (0.33) CCNCCDK8HASPINCDK19
SCHEMBL7298792 0.84 CCNC (0.39) CCNCCDK8HASPINCDK19
SCHEMBL7290301 0.82 CCNC (0.38) CCNCCDK8HASPINCDK19
SCHEMBL7298021 0.82 CA12 (0.40) CCNCCDK8HASPINCDK19
SCHEMBL7379472 0.81 CCNC (0.38) CCNCCDK8HASPINCDK19
SCHEMBL7372344 0.79 CCNC (0.39) CCNCCDK8HASPINCDK19
SCHEMBL7288548 0.79 CCNC (0.38) CCNCCDK8HASPINCDK19
SCHEMBL9559406 0.78 KDM4E (0.34)
SCHEMBL7288608 0.77 NPC1 (0.33)
SCHEMBL7375175 0.76 CCNC (0.37) CCNCCDK8HASPINCDK19

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-0308792-B1 AZACHROMANE DERIVATIVES MERCK PATENT GmbH (DE) 1993-07-28 EP disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed