SCHEMBL27770358

SCHEMBL27770358

O=CC1NN=C(c2ccc(Cl)cc2)N1C1CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL27770365 0.81 ALDH1A1 (0.35) MEN1KMT2ANPSR1
SCHEMBL27749306 0.78 PTPN11 (0.37)
SCHEMBL27770364 0.75 RXFP1 (0.39) MEN1KMT2A
SCHEMBL27770354 0.73 GAA (0.39) MEN1KMT2ANPSR1
SCHEMBL28781522 0.72 GABRA1 (0.32) PDE4AMEN1KMT2ANPSR1
SCHEMBL27909623 0.69 L3MBTL1 (0.32) PDE4A
SCHEMBL28058456 0.68 ALDH1A1 (0.33)
SCHEMBL28058452 0.66 ALDH1A1 (0.31)
SCHEMBL28058563 0.65 MAOA (0.32) KMT2A
SCHEMBL28058503 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103189363-B Biaryl linked aryl triazolones and uses thereof BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-29 CN disclosed
CN-101495458-B Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER IP GMBH 2014-01-29 CN disclosed
CN-103189363-A Biaryl linked aryl triazolones and uses thereof BAYER IP GMBH 2013-07-03 CN disclosed
CN-101495458-A Substituted arylimidazolone and triazolone as inhibitors of vasopressin receptors BAYER HEALTHCARE AG (DE) 2009-07-29 CN disclosed