SCHEMBL31346014

SCHEMBL31346014

N#Cc1cccc(C2Cc3cc(C(F)(F)F)ccc3O2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 7/20 0.47
CASP3 P42574 1/20 0.35
CASP7 P55210 1/20 0.35
CASP8 Q14790 1/20 0.35
ABL1 P00519 1/20 0.35
MAP2K2 P36507 1/20 0.35
CSNK1A1 P48729 1/20 0.35
CLK2 P49760 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CDK5 Q00535 1/20 0.35
ACVR1 Q04771 1/20 0.35
CLK4 Q9HAZ1 1/20 0.35
DYRK1B Q9Y463 1/20 0.35
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.32
CTSK P43235 7/20 0.32
MPO P05164 1/20 0.32
TEAD1 P28347 1/20 0.31
KCNH2 Q12809 2/20 0.31

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
SCHEMBL31345972 0.84 CTSS (0.35) CTSSCASP3CASP7CASP8CTSK
SCHEMBL31346047 0.82 TEAD1 (0.37) CASP3CASP7CASP8TEAD1SCN9A
SCHEMBL31346051 0.82 TEAD1 (0.37) CASP3CASP7CASP8TEAD1SCN9A
SCHEMBL31346003 0.81 CTSS (0.42) CTSSCTSKALDH1A1GAA
SCHEMBL31346147 0.79 MRGPRX4 (0.36) CTSSCASP3CASP7CASP8GSK3A
SCHEMBL31346095 0.78 MRGPRX4 (0.40) CASP3CASP7CASP8SCN9A
SCHEMBL31346124 0.78 CTSK (0.35) CTSSCTSK
SCHEMBL31346115 0.77 CTSS (0.36) CTSSCTSK
SCHEMBL31346039 0.77 SCN10A (0.33) CTSSABL1MAP2K2CSNK1A1CLK2
SCHEMBL31345995 0.76 CYP19A1 (0.45) MPOTEAD1

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
EP-4712967-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST Enveda Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024239000-A2 G-PROTEIN COUPLED RECEPTOR ANTAGONIST ENVEDA THERAPEUTICS, INC. (US) 2024-11-21 WO disclosed