SCHEMBL8208622

SCHEMBL8208622

CCc1cc(C2=NN(C(=O)c3ccccc3Cl)C(c3ccc(C)cc3)C2)ccc1OC

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.54
MEN1 O00255 2/20 0.54
MAOA P21397 4/20 0.54
EGFR P00533 3/20 0.52
MAOB P27338 2/20 0.51
BRAF P15056 1/20 0.49
ACHE P22303 1/20 0.48

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
SCHEMBL3314469 0.91 KMT2A (0.65) KMT2AMEN1MAOAEGFRMAOB
SCHEMBL3314426 0.84 KMT2A (0.65) KMT2AMEN1MAOAEGFRMAOB
SCHEMBL3314624 0.83 KMT2A (0.64) KMT2AMEN1MAOAEGFRMAOB
SCHEMBL3314397 0.79 ALDH1A1 (0.62) KMT2AMEN1MAOAEGFRMAOB
SCHEMBL8206289 0.78 ALDH1A1 (0.57) KMT2AMEN1MAOAEGFRMAOB
SCHEMBL3319431 0.76 KMT2A (0.61) KMT2AMEN1MAOAEGFRMAOB
SCHEMBL3312868 0.76 KMT2A (0.65) KMT2AMEN1MAOAEGFRMAOB
SCHEMBL3310619 0.76 KDM4E (0.61) KMT2AMEN1MAOAEGFRMAOB
SCHEMBL13576145 0.73 KMT2A (0.64) KMT2AMEN1MAOAMAOB
SCHEMBL3311114 0.73 KMT2A (0.68) KMT2AMEN1MAOAMAOB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008045663-A2 ARYL-SUBSTITUTED HETEROCYCLIC PDE4 INHIBITORS AS ANTIINFLAMMATORY AGENTS KALYPSYS, INC. (US) 2008-04-17 WO disclosed