SCHEMBL5203682

SCHEMBL5203682

N#Cc1ccc(C(F)(F)F)c(C#N)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.53
TRPV4 Q9HBA0 1/20 0.50
AR P10275 16/20 0.44
SLC22A12 Q96S37 1/20 0.44
PGR P06401 2/20 0.40

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
SCHEMBL1003776 0.83 AR (0.58) TRPV4ARPGR
SCHEMBL7569957 0.83 TRPV4 (0.58) KIF11TRPV4ARSLC22A12
SCHEMBL7604551 0.81 TRPV4 (0.56) KIF11TRPV4ARSLC22A12
SCHEMBL28006123 0.79 KIF11 (0.43) KIF11TRPV4ARPGR
SCHEMBL1996176 0.79 AR (0.53) KIF11ARSLC22A12
SCHEMBL29421468 0.79 AR (0.50) KIF11ARSLC22A12PGR
SCHEMBL1727083 0.79 KIF11 (0.73) KIF11TRPV4ARSLC22A12
SCHEMBL11724576 0.79 KIF11 (0.44) KIF11TRPV4AR
SCHEMBL30168580 0.79 KIF11 (0.73) KIF11TRPV4ARSLC22A12
SCHEMBL325632 0.79 AR (0.50) KIF11ARSLC22A12PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023148215-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES NOVALED GMBH (DE) 2023-08-10 WO disclosed
EP-4223739-A1 3,6-BIS(CYANOMETHYLIDENE)CYCLOHEXA-1,4-DIENE COMPOUNDS AND THEIR USE IN ORGANIC ELECTRONIC DEVICES Novaled GmbH (DE) 2023-08-09 EP disclosed
CN-104803916-B Hete rocyclic derivatives as SARM (SARMS) 詹森药业有限公司 2017-08-11 CN disclosed
EP-1817292-A2 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-15 EP disclosed
WO-2006055184-A2 NOVEL HETEROCYCLE DERIVATIVES USEFUL AS SELECTIVE ANDROGEN RECEPTOR MODULATORS (SARMS) JANSSEN PHARMACEUTICA N.V. (BE) 2006-05-26 WO disclosed