SCHEMBL6828667

SCHEMBL6828667

COC(=O)C1CCC2=C(C1)NC1=C(C=CC(=O)C1C)C2

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 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
SCHEMBL6828881 0.80 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6829797 0.71 ALDH1A1 (0.32) ALDH1A1
SCHEMBL1139285 0.61 BRD4 (0.47) KMT2AALDH1A1
SCHEMBL4868550 0.61 BRD4 (0.47) KMT2AALDH1A1
SCHEMBL17014460 0.61 BRD4 (0.47) KMT2AALDH1A1
SCHEMBL10982547 0.61 BRD4 (0.40) KMT2AALDH1A1
SCHEMBL11791130 0.58 BRD4 (0.40) KMT2AALDH1A1
SCHEMBL791232 0.58 BRD4 (0.46) ALDH1A1
SCHEMBL15445855 0.57 BRD4 (0.42) KMT2AALDH1A1
SCHEMBL22144319 0.57 BRD4 (0.42) KMT2AALDH1A1

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
WO-2004037792-A2 BENZO (F) QUINOLINONE VARIANTS AS NUCLEAR HORMONE RECEPTOR LIGANDS KARO BIO AB (SE) 2004-05-06 WO claimed
WO-2004037792-A2 BENZO (F) QUINOLINONE VARIANTS AS NUCLEAR HORMONE RECEPTOR LIGANDS KARO BIO AB (SE) 2004-05-06 WO disclosed