SCHEMBL22453360

SCHEMBL22453360

CC12CC3CC(C)(C1)CC(c1ccc(Oc4ccc(N)c(F)c4)c(Cl)c1)(C3)C2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.33
▸ SLC6A4 P31645 3/20 0.33
▸ KCNH2 Q12809 2/20 0.33
▸ SCN9A Q15858 2/20 0.33
▸ FFAR1 O14842 2/20 0.33
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ PDE7A Q13946 1/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ EPHX2 P34913 1/20 0.31
▸ SOS1 Q07889 2/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 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
SCHEMBL22453356 0.88 HTR2C (0.32) HTR2ASLC6A4KCNH2FFAR1HTR2C
SCHEMBL22453159 0.87 PDE7A (0.43) HTR2ASLC6A4FFAR1PDE7AKMT2A
SCHEMBL22453130 0.79 EPHX2 (0.39) KMT2AEPHX2MEN1
SCHEMBL22453398 0.78 KMT2A (0.37) SCN9AKMT2AEPHX2MEN1
SCHEMBL22452447 0.78 KMT2A (0.41) SCN9AKMT2AMEN1
SCHEMBL2730836 0.76 EPHX2 (0.34) KMT2AEPHX2MEN1
SCHEMBL22452671 0.73 SLC6A4 (0.39) HTR2ASLC6A4KCNH2KMT2AEPHX2
SCHEMBL13295195 0.71 PDE7A (0.49) HTR2ASLC6A4KCNH2SCN9APDE7A
SCHEMBL11018978 0.71 ALDH1A1 (0.50) HTR2ASLC6A4KCNH2SCN9APDE7A
SCHEMBL22453702 0.70 PTPN11 (0.45) KMT2AEPHX2MEN1

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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