SCHEMBL31345993

SCHEMBL31345993

N#Cc1csc(C2Cc3cc(C(F)(F)F)ccc3O2)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.33
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
CASP8 Q14790 1/20 0.31
PNMT P11086 3/20 0.31
AADAT Q8N5Z0 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL31346112 0.83 SLC22A12 (0.34) CASP3CASP7CASP8PNMTAADAT
SCHEMBL31346114 0.80 KIF11 (0.36) KIF11PNMTHTR2AHTR2CHTR2B
SCHEMBL31345998 0.80 PNMT (0.32) PNMT
SCHEMBL31345995 0.77 CYP19A1 (0.45) KIF11HTR2C
SCHEMBL31346117 0.77 CYP19A1 (0.45) KIF11HTR2C
SCHEMBL31346129 0.76 TRPM5 (0.35) KIF11PNMTEGLN1
SCHEMBL31346029 0.75 CYP11B1 (0.40) KIF11EGLN1
SCHEMBL31346109 0.75 ELANE (0.34) KIF11EGLN1
SCHEMBL31346147 0.75 MRGPRX4 (0.36) KIF11CASP3CASP7CASP8PNMT
SCHEMBL31346005 0.75 ELANE (0.34) KIF11EGLN1

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