SCHEMBL22452483

SCHEMBL22452483

COC(=O)c1ccccc1Nc1cc(Nc2ccc(C34CC5CC(C3)C(C5)C4)cc2)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ TAS2R14 Q9NYV8 6/20 0.44
▸ EPHX2 P34913 2/20 0.40
▸ RXFP1 Q9HBX9 4/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MDH1 P40925 1/20 0.38
▸ MDH2 P40926 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ NPC1 O15118 1/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ EPAS1 Q99814 2/20 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
SCHEMBL22452612 0.95 MAPT (0.46) MAPTALOX15TAS2R14EPHX2RXFP1
SCHEMBL22452617 0.85 TAS2R14 (0.44) MAPTALOX15TAS2R14EPHX2RXFP1
SCHEMBL22452492 0.85 TAS2R14 (0.56) TAS2R14EPHX2RXFP1ADRA2BADRA2C
SCHEMBL22452614 0.84 EPHX2 (0.41) TAS2R14EPHX2LMNAMDH1MDH2
SCHEMBL22452503 0.84 MAPT (0.58) MAPTALOX15EPHX2LMNAMDH1
SCHEMBL22452501 0.83 MAPT (0.55) MAPTALOX15EPHX2MDH1MDH2
SCHEMBL22452848 0.83 MAPT (0.49) MAPTALOX15EPHX2LMNAMDH1
SCHEMBL22452620 0.81 CNR2 (0.51) MAPTEPHX2LMNACYP1A2CYP2C9
SCHEMBL22452615 0.81 NPC1 (0.40) EPHX2MDH1MDH2NPC1HIF1A
SCHEMBL22452652 0.78 EPHX2 (0.61) MAPTALOX15EPHX2LMNAMDH1

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
WO-2020190774-A1 NOVEL SMALL MOLECULE INHIBITORS OF TEAD TRANSCRIPTION FACTORS THE GENERAL HOSPITAL CORPORATION (US) 2020-09-24 — — WO disclosed
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