SCHEMBL3813667

SCHEMBL3813667

[CH2]CCC1(CCCCCc2ccccc2)N=NN=N1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.42
SIGMAR1 Q99720 10/20 0.41
MAOA P21397 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL5440552 0.94 MAOB (0.42) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL5246710 0.82 MAPT (0.43) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL3822512 0.81 SIGMAR1 (0.38) MAOBSIGMAR1MAOA
SCHEMBL8496868 0.72 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL145792 0.72 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL304117 0.72 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL104035 0.72 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL8498459 0.72 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL38729 0.72 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1
SCHEMBL142556 0.72 SIGMAR1 (0.58) MAOBSIGMAR1MAOAMAPTRXFP1

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
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed