SCHEMBL7376992

SCHEMBL7376992

CC(=O)Nc1cc(Br)c(=O)n(C2=CC(C)(C)Oc3ccncc32)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.35
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
CCNC P24863 4/20 0.32
CDK8 P49336 4/20 0.32
USP2 O75604 1/20 0.31
MAPK10 P53779 1/20 0.31
KMT2A Q03164 1/20 0.31
HASPIN Q8TF76 3/20 0.31
CDK19 Q9BWU1 3/20 0.31
SLC22A12 Q96S37 1/20 0.31
ROCK2 O75116 1/20 0.31
FTO Q9C0B1 1/20 0.31
ABL1 P00519 2/20 0.30
PDGFRB P09619 2/20 0.30
SRC P12931 2/20 0.30
PDGFRA P16234 2/20 0.30
MAPK14 Q16539 2/20 0.30
RARA P10276 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
SCHEMBL7367507 0.92 AAK1 (0.37) AAK1POLBGAATSHRCCNC
SCHEMBL7377524 0.89 WEE1 (0.37) AAK1CCNCCDK8KMT2AHASPIN
SCHEMBL7299766 0.85 AAK1 (0.38) AAK1POLBGAATSHRCCNC
SCHEMBL7373225 0.85 CCNC (0.32) AAK1CCNCCDK8HASPINCDK19
SCHEMBL7348684 0.84 CCNC (0.31) CCNCCDK8HASPINCDK19
SCHEMBL7300200 0.82 CCNC (0.33) CCNCCDK8HASPINCDK19
SCHEMBL8085352 0.81 PDE4A (0.39) RARARARBRARG
SCHEMBL8090476 0.81 SMN1; SMN2 (0.38) GAAKMT2A
SCHEMBL7373871 0.81 AAK1 (0.37) AAK1CCNCCDK8HASPINCDK19
SCHEMBL7372055 0.81 GAA (0.38) POLBGAATSHRMAPK10KMT2A

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 2 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