SCHEMBL24136153

SCHEMBL24136153

Cc1cc2c(OC(F)(F)F)ccc(F)c2n1I

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.35
EPHX2 P34913 1/20 0.34
SCN9A Q15858 2/20 0.32
RORC P51449 2/20 0.31
KCNH2 Q12809 1/20 0.30
TMEM97 Q5BJF2 1/20 0.30
SIGMAR1 Q99720 1/20 0.30
SCN5A Q14524 1/20 0.30
IDO1 P14902 1/20 0.30
TDO2 P48775 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
SCHEMBL22434777 0.83 PDE2A (0.35) PDE2AEPHX2SCN9ARORCKCNH2
SCHEMBL24136189 0.83 MEN1 (0.35)
SCHEMBL20504731 0.77 PDE2A (0.35) PDE2AEPHX2SCN9AKCNH2TMEM97
SCHEMBL24136150 0.76 AR (0.32)
SCHEMBL24136193 0.75 HRH4 (0.33)
SCHEMBL24136162 0.74 CYP11B1 (0.35)
SCHEMBL24136206 0.73 CYP19A1 (0.35)
SCHEMBL24136225 0.68
SCHEMBL24136224 0.66
SCHEMBL24136204 0.66 L3MBTL1 (0.35) IDO1TDO2

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
EP-3928836-A1 N-SUBSTITUTED INDOLE DERIVATIVES AS PGE2 RECEPTOR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2021-12-29 EP disclosed