SCHEMBL20855587

SCHEMBL20855587

COc1ccc(C#N)cc1C(C)Cl

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.46
SLC6A4 P31645 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
MCL1 Q07820 1/20 0.41
PDE5A O76074 3/20 0.40
KDM1A O60341 2/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
GUSB P08236 1/20 0.38
ICMT O60725 1/20 0.37
CYP2D6 P10635 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL523615 0.86 AR (0.49) ARSLC6A4MEN1KMT2AMCL1
SCHEMBL20855762 0.83 AR (0.46) ARSLC6A4MEN1KMT2AMCL1
SCHEMBL20855761 0.83 AR (0.46) ARSLC6A4MEN1KMT2AMCL1
SCHEMBL16955918 0.83 AR (0.46) ARSLC6A4MEN1KMT2AMCL1
SCHEMBL20855659 0.83 AR (0.46) ARSLC6A4MEN1KMT2AMCL1
SCHEMBL20855662 0.83 AR (0.46) ARSLC6A4MEN1KMT2AMCL1
SCHEMBL17731549 0.81 AR (0.47) ARSLC6A4MEN1KMT2AMCL1
SCHEMBL17731548 0.81 AR (0.47) ARSLC6A4MEN1KMT2AMCL1
SCHEMBL18923587 0.80 AR (0.44) ARSLC6A4MEN1KMT2AMCL1
SCHEMBL171796 0.80 AR (0.47) ARSLC6A4MEN1KMT2AMCL1

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-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed