SCHEMBL7288576

SCHEMBL7288576

CC1(C)C=C(n2cc(Br)cc(Br)c2=O)c2cccnc2O1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 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
SCHEMBL7368022 0.89 MEN1 (0.31)
SCHEMBL7379309 0.89 POLB (0.33) POLBGAATSHR
SCHEMBL7298549 0.86 MAPT (0.34) POLBGAATSHR
SCHEMBL7288963 0.85 NPC1 (0.33)
SCHEMBL7377531 0.84 POLB (0.38) POLBGAATSHR
SCHEMBL7373402 0.84 S100A4 (0.32) POLBGAATSHR
SCHEMBL7299568 0.82 POLB (0.34) POLBGAATSHR
SCHEMBL7298334 0.80 TNKS (0.33)
SCHEMBL7301120 0.78 NR4A2 (0.31)
SCHEMBL7299711 0.78 WEE1 (0.31) GAA

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