SCHEMBL30768354

SCHEMBL30768354

Nc1cc(Oc2ccc(OC(F)(F)F)cc2)ccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.45
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
KCNH2 Q12809 2/20 0.41
SOS1 Q07889 2/20 0.40
KIF11 P52732 1/20 0.39
GPR3 P46089 2/20 0.38
FAAH O00519 1/20 0.38
EPHX2 P34913 1/20 0.38
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
GMNN O75496 1/20 0.37
USP2 O75604 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL24750258 1.00 NR4A1 (0.45) NR4A1SCN5ASCN9AKCNH2SOS1
SCHEMBL30459994 0.89 GPR3 (0.46) SCN5ASCN9AKIF11GPR3GAA
SCHEMBL1275899 0.89 GPR3 (0.46) SCN5ASCN9AKIF11GPR3GAA
SCHEMBL23651402 0.85 NR4A1 (0.65) NR4A1SCN5ASCN9AKCNH2GPR3
SCHEMBL11019127 0.84 NR4A1 (0.61) NR4A1SOS1GAASMN1; SMN2LMNA
SCHEMBL24751459 0.82 L3MBTL1 (0.47) NR4A1SCN5ASCN9AKCNH2SOS1
SCHEMBL24750157 0.81 NR4A1 (0.44) NR4A1SCN5ASCN9AKCNH2SOS1
SCHEMBL31694862 0.81 NR4A1 (0.44) NR4A1SCN5ASCN9AKCNH2SOS1
SCHEMBL17064421 0.79 MAOA (0.54) NR4A1SOS1GAASMN1; SMN2NPC1
SCHEMBL29525311 0.79 MAOA (0.54) NR4A1SOS1GAASMN1; SMN2NPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117500786-A TEAD inhibitors 奥赖恩公司 2024-02-02 CN disclosed