SCHEMBL7300852

SCHEMBL7300852

CC1(C)C=C(n2cc([N+](=O)[O-])cc(Br)c2=O)c2ccncc2O1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.35
CRHBP P24387 1/20 0.35
HTT P42858 1/20 0.35
CRHR2 Q13324 1/20 0.35
CCNC P24863 12/20 0.34
CDK8 P49336 12/20 0.34
HASPIN Q8TF76 11/20 0.34
CDK19 Q9BWU1 6/20 0.34

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
SCHEMBL7292134 0.92 MAPT (0.35) MAPTCRHBPHTTCRHR2
SCHEMBL7291070 0.90 CCNC (0.35) MAPTCCNCCDK8HASPINCDK19
SCHEMBL7299853 0.88 CCNC (0.34) MAPTCCNCCDK8HASPINCDK19
SCHEMBL7299658 0.86 CCNC (0.37) CCNCCDK8HASPINCDK19
SCHEMBL7291488 0.86 CCNC (0.34) MAPTCCNCCDK8HASPINCDK19
SCHEMBL7291808 0.84 CCNC (0.40) CCNCCDK8HASPINCDK19
SCHEMBL7299080 0.83 CCNC (0.34) MAPTCCNCCDK8HASPINCDK19
SCHEMBL8084409 0.83 ALDH1A1 (0.35)
SCHEMBL7291279 0.82 ADORA2B (0.31) MAPTCCNCCDK8HASPINCDK19
SCHEMBL7290570 0.82 CHUK (0.34) 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