SCHEMBL7300724

SCHEMBL7300724

CC1(C)C=C(n2cc([N+](=O)[O-])cc(Cl)c2=O)c2cnccc2O1

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.32
PDE4D Q08499 1/20 0.32
PDE7A Q13946 1/20 0.32
PDE7B Q9NP56 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
KMT2A Q03164 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL7299853 0.92 CCNC (0.34) PDE4BPDE4DPDE7APDE7BSMN1; SMN2
SCHEMBL7291279 0.89 ADORA2B (0.31) MEN1MAPTKMT2AALDH1A1
SCHEMBL7292134 0.88 MAPT (0.35) MAPT
SCHEMBL7290178 0.86 CYP11B2 (0.32) SMN1; SMN2ALDH1A1
SCHEMBL8085331 0.85 HSD17B10 (0.38) MEN1MAPTKMT2AALDH1A1
SCHEMBL7289644 0.85 CHUK (0.34) PDE4BPDE4DPDE7APDE7B
SCHEMBL7294466 0.84 CCNC (0.33)
SCHEMBL7291740 0.83 MEN1 (0.33) MEN1MAPTKMT2A
SCHEMBL7291070 0.81 CCNC (0.35) MEN1MAPTKMT2AALDH1A1
SCHEMBL7292141 0.81 CCNC (0.30)

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