SCHEMBL7293261

SCHEMBL7293261

CC1(C)C=C(n2ccc(O)cc2=O)c2cnccc2O1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCNC P24863 2/20 0.33
CDK8 P49336 2/20 0.33
HASPIN Q8TF76 2/20 0.33
CDK19 Q9BWU1 2/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
ABCC9 O60706 1/20 0.31

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
SCHEMBL7299455 0.91 CCNC (0.40) CCNCCDK8HASPINCDK19
SCHEMBL7300440 0.84 CCNC (0.32) CCNCCDK8HASPINCDK19
SCHEMBL7300509 0.82 CCNC (0.32) CCNCCDK8HASPINCDK19MAPT
SCHEMBL7294108 0.82 CA12 (0.40) CCNCCDK8HASPINCDK19ABCC9
SCHEMBL7377731 0.81 CCNC (0.31) CCNCCDK8HASPINCDK19
SCHEMBL9055747 0.80
SCHEMBL7373569 0.79 CCNC (0.32) CCNCCDK8HASPINCDK19
SCHEMBL7299763 0.79 CCNC (0.34) CCNCCDK8HASPINCDK19
SCHEMBL7269375 0.78 PDE4A (0.42) MAPTKDM4EABCC9
SCHEMBL10697804 0.78 MAPT (0.34) MAPTKDM4EALDH1A1

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