SCHEMBL31345972

SCHEMBL31345972

Cc1cc(C#N)nc(C2Cc3cc(C(F)(F)F)ccc3O2)c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.35
TERT O14746 1/20 0.34
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PPARD Q03181 1/20 0.30
CTSK P43235 1/20 0.30
CASP3 P42574 1/20 0.30
CASP7 P55210 1/20 0.30
CASP8 Q14790 1/20 0.30

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
SCHEMBL31346014 0.84 CTSS (0.47) CTSSCTSKCASP3CASP7CASP8
SCHEMBL31345987 0.83 TERT (0.35) TERTPIK3CAPIK3CBPIK3CGPPARD
SCHEMBL31346005 0.77 ELANE (0.34) TERTTSHRSMN1; SMN2
SCHEMBL31346109 0.77 ELANE (0.34) TERTTSHRSMN1; SMN2
SCHEMBL31346133 0.77 NPSR1 (0.33) TERTPPARDCASP3CASP7CASP8
SCHEMBL31346033 0.76 TERT (0.33) TERTPIK3CAPIK3CBPIK3CG
SCHEMBL31346039 0.75 SCN10A (0.33) CTSSPPARD
SCHEMBL31346147 0.75 MRGPRX4 (0.36) CTSSCASP3CASP7CASP8
SCHEMBL31346114 0.72 KIF11 (0.36)
SCHEMBL31346047 0.71 TEAD1 (0.37) CASP3CASP7CASP8

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