SCHEMBL31346147

SCHEMBL31346147

N#Cc1ccnc(C2Cc3cc(C(F)(F)F)ccc3O2)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.36
KDM4E B2RXH2 1/20 0.33
KIF11 P52732 1/20 0.33
ELANE P08246 4/20 0.32
CETP P11597 1/20 0.32
CTSS P25774 1/20 0.32
DYRK3 O43781 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
STK17A Q9UEE5 1/20 0.31
USP30 Q70CQ3 1/20 0.31
CSF1R P07333 1/20 0.31
ADRB2 P07550 1/20 0.31
NCF1 P14598 1/20 0.31
PNMT P11086 1/20 0.31
CASP3 P42574 1/20 0.31
CASP7 P55210 1/20 0.31
CASP8 Q14790 1/20 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
SCHEMBL31346056 0.83 TEAD1 (0.34) DYRK1ACLK4CSF1RADRB2NCF1
SCHEMBL31345995 0.81 CYP19A1 (0.45) MRGPRX4KIF11ELANECETP
SCHEMBL31346117 0.81 CYP19A1 (0.45) MRGPRX4KIF11ELANECETP
SCHEMBL31346114 0.79 KIF11 (0.36) MRGPRX4KIF11ELANECETPPNMT
SCHEMBL31346014 0.79 CTSS (0.47) CTSSGSK3AGSK3BCLK4CASP3
SCHEMBL31346039 0.79 SCN10A (0.33) ELANECTSSGSK3AGSK3BCLK4
SCHEMBL31346066 0.78 TDP1 (0.42) MRGPRX4
SCHEMBL31346029 0.77 CYP11B1 (0.40) KIF11
SCHEMBL31345993 0.75 KIF11 (0.33) KIF11PNMTCASP3CASP7CASP8
SCHEMBL31346129 0.75 TRPM5 (0.35) MRGPRX4KIF11ELANECETPPNMT

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