SCHEMBL30899301

SCHEMBL30899301

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.53
KIF11 P52732 2/20 0.51
SLC22A12 Q96S37 2/20 0.50
PDK1 Q15118 1/20 0.43
PDK2 Q15119 1/20 0.43
PDK3 Q15120 1/20 0.43
PDK4 Q16654 1/20 0.43
FAAH O00519 4/20 0.43
AR P10275 5/20 0.41
VCAM1 P19320 1/20 0.41
HSD11B1 P28845 1/20 0.40
NOTUM Q6P988 1/20 0.40
CNR2 P34972 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38

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
SCHEMBL472402 1.00 TRPV4 (0.53) TRPV4KIF11SLC22A12PDK1PDK2
SCHEMBL8576403 0.86 TRPV4 (0.44) TRPV4KIF11SLC22A12PDK1PDK2
SCHEMBL628094 0.84 TRPV4 (0.57) TRPV4KIF11SLC22A12PDK1PDK2
SCHEMBL7569957 0.81 TRPV4 (0.58) TRPV4KIF11SLC22A12PDK2AR
SCHEMBL12203355 0.80 PDK1 (0.43) TRPV4KIF11SLC22A12PDK1PDK2
SCHEMBL10766551 0.80 KDR (0.40) TRPV4KIF11SLC22A12PDK1FAAH
SCHEMBL1727083 0.78 KIF11 (0.73) TRPV4KIF11SLC22A12AR
SCHEMBL5203682 0.78 KIF11 (0.53) TRPV4KIF11SLC22A12AR
SCHEMBL30168580 0.78 KIF11 (0.73) TRPV4KIF11SLC22A12AR
SCHEMBL7374120 0.77 PDK1 (0.48) TRPV4KIF11SLC22A12PDK1PDK2

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-2025264724-A1 MPRO INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-12-26 WO disclosed
CN-117915903-A Compounds for the treatment of neurodegenerative, degenerative and metabolic disorders and uses thereof 佛罗里达大学研究基金会公司 2024-04-19 CN disclosed