SCHEMBL25985277

SCHEMBL25985277

CC(C#N)c1ccc(C#N)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.46
KIF11 P52732 2/20 0.41
AR P10275 9/20 0.39
ELANE P08246 1/20 0.35
P4HB P07237 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
TRPA1 O75762 1/20 0.34
SLC22A12 Q96S37 2/20 0.34

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
SCHEMBL12263486 0.86 TRPV4 (0.49) TRPV4KIF11ARELANEP4HB
SCHEMBL27929091 0.83 TRPV4 (0.46) TRPV4KIF11ARELANEP4HB
SCHEMBL22400171 0.81 TRPV4 (0.44) TRPV4KIF11ARMRGPRX4SLC22A12
SCHEMBL19461140 0.80 GAA (0.52) KIF11AR
SCHEMBL18552864 0.79 TRPV4 (0.45) TRPV4KIF11ARELANEMRGPRX4
SCHEMBL21725516 0.78 TRPV4 (0.42) TRPV4KIF11ARMRGPRX4SLC22A12
SCHEMBL28176915 0.76 AR (0.33) AR
SCHEMBL7604551 0.76 TRPV4 (0.56) TRPV4KIF11ARP4HBMRGPRX4
SCHEMBL12304000 0.76 KIF11 (0.47) TRPV4KIF11ARTRPA1SLC22A12
SCHEMBL19461699 0.75 P2RX7 (0.43) ARTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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