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
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