SCHEMBL1816762

SCHEMBL1816762

CC(N)Cn1ccc(-c2cc(Cl)ccc2C#N)n1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 16/20 0.41
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35

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
SCHEMBL20854535 0.88 KDM4E (0.40) ARKDM4EMAPTTDP1
SCHEMBL1814084 0.86 HTR2A (0.41) ARHTR2AHTR2C
SCHEMBL1813687 0.82 AR (0.55) AR
SCHEMBL1812956 0.82 AR (0.55) AR
SCHEMBL1812954 0.82 AR (0.55) AR
SCHEMBL1817136 0.81 AR (0.44) ARHTR2AHTR2C
SCHEMBL1817139 0.81 AR (0.44) ARHTR2AHTR2C
SCHEMBL1813547 0.81 AR (0.57) AR
SCHEMBL1812527 0.81 AR (0.57) AR
SCHEMBL1812528 0.81 AR (0.57) AR

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-2493858-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS Orion Corporation (FI) 2012-09-05 EP disclosed
WO-2011051540-A9 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2012-06-21 WO disclosed
WO-2011051540-A1 ANDROGEN RECEPTOR MODULATING COMPOUNDS ORION CORPORATION (FI) 2011-05-05 WO disclosed