SCHEMBL7294332

SCHEMBL7294332

CC1(C)C=C(n2cc(Cl)cc(Cl)c2=O)c2ccncc2O1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNC P24863 19/20 0.37
CDK8 P49336 19/20 0.37
HASPIN Q8TF76 18/20 0.37
CDK19 Q9BWU1 11/20 0.37
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 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
SCHEMBL7290178 0.91 CYP11B2 (0.32) CCNCCDK8HASPINCDK19CYP11B1
SCHEMBL7291526 0.89 CCNC (0.40) CCNCCDK8HASPINCDK19
SCHEMBL7289471 0.89 CCNC (0.38) CCNCCDK8HASPINCDK19CYP11B2
SCHEMBL7299853 0.86 CCNC (0.34) CCNCCDK8HASPINCDK19
SCHEMBL7290570 0.86 CHUK (0.34) CCNCCDK8HASPINCDK19
SCHEMBL7297501 0.84 CCNC (0.36) CCNCCDK8HASPINCDK19CYP11B1
SCHEMBL7374768 0.84 CHUK (0.37) CCNCCDK8HASPINCDK19
SCHEMBL7373871 0.84 AAK1 (0.37) CCNCCDK8HASPINCDK19
SCHEMBL7326748 0.83 CCNC (0.35) CCNCCDK8HASPINCDK19
SCHEMBL7294466 0.80 CCNC (0.33) 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 3 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
US-4931454-A Azachroman derivatives with effects on the cardiovascular system MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-06-05 US disclosed
EP-0308792-A2 Azachromane derivatives MERCK PATENT GmbH (DE) 1989-03-29 EP disclosed