SCHEMBL7298971

SCHEMBL7298971

CC1(C)C=C(n2c(Cl)cccc2=O)c2cnccc2O1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
HASPIN Q8TF76 1/20 0.33
CDK19 Q9BWU1 1/20 0.33
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
CDC25B P30305 1/20 0.31
MAPK14 Q16539 1/20 0.30
MEN1 O00255 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7290451 0.91 CCNC (0.38) CCNCCDK8HASPINCDK19KDM4E
SCHEMBL7294108 0.78 CA12 (0.40) CCNCCDK8HASPINCDK19
SCHEMBL7373569 0.78 CCNC (0.32) CCNCCDK8HASPINCDK19CDC25B
SCHEMBL7291851 0.77 MAPK14 (0.31) SMN1; SMN2CDC25BMAPK14
SCHEMBL7300176 0.77 NPC1 (0.32) CDC25B
SCHEMBL7376043 0.76 CYP11B2 (0.33) CCNCCDK8HASPINCDK19CYP11B1
SCHEMBL8088432 0.76 PDE4A (0.43)
SCHEMBL8084294 0.76 ALDH1A1 (0.37) ALDH1A1MAPK14MEN1KMT2A
SCHEMBL7314077 0.75 FGFR1 (0.32) CCNCCDK8HASPINCDK19CYP11B1
SCHEMBL7300440 0.75 CCNC (0.32) CCNCCDK8HASPINCDK19MAPK14

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