SCHEMBL7290451

SCHEMBL7290451

CC1(C)C=C(n2c(Cl)cccc2=O)c2ccncc2O1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCNC P24863 18/20 0.38
CDK8 P49336 18/20 0.38
HASPIN Q8TF76 17/20 0.38
CDK19 Q9BWU1 9/20 0.38
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7298971 0.91 CCNC (0.33) CCNCCDK8HASPINCDK19KDM4E
SCHEMBL7298021 0.78 CA12 (0.40) CCNCCDK8HASPINCDK19
SCHEMBL7372344 0.78 CCNC (0.39) CCNCCDK8HASPINCDK19
SCHEMBL7291851 0.77 MAPK14 (0.31) SMN1; SMN2
SCHEMBL7300176 0.77 NPC1 (0.32)
SCHEMBL7297501 0.76 CCNC (0.36) CCNCCDK8HASPINCDK19
SCHEMBL7326748 0.75 CCNC (0.35) CCNCCDK8HASPINCDK19
SCHEMBL7298792 0.75 CCNC (0.39) CCNCCDK8HASPINCDK19
SCHEMBL7292901 0.74 CCNC (0.36) CCNCCDK8HASPINCDK19
SCHEMBL7373684 0.74 CCNC (0.36) 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