SCHEMBL22453356

SCHEMBL22453356

Cc1cc(Oc2ccc(C34CC5CC(C)(CC(C)(C5)C3)C4)cc2Cl)ccc1N

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 1/20 0.32
▸ HTR2B P41595 1/20 0.32
▸ PDE7A Q13946 1/20 0.32
▸ FFAR1 O14842 2/20 0.32
▸ EPHX2 P34913 1/20 0.31
▸ HTR2A P28223 2/20 0.31
▸ SLC6A4 P31645 2/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PTPN11 Q06124 1/20 0.30
▸ NR0B2 Q15466 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
SCHEMBL22453360 0.88 HTR2A (0.33) HTR2CHTR2BPDE7AFFAR1EPHX2
SCHEMBL22453159 0.88 PDE7A (0.43) PDE7AFFAR1EPHX2HTR2ASLC6A4
SCHEMBL22453130 0.80 EPHX2 (0.39) EPHX2MEN1KMT2APTPN11NR0B2
SCHEMBL22452986 0.78 AKR1C3 (0.40) HTR2AKCNH2MEN1NPC1KMT2A
SCHEMBL22453332 0.77 LMNA (0.41) EPHX2MEN1KMT2A
SCHEMBL22453440 0.77 TOP1 (0.39) EPHX2MEN1KMT2A
SCHEMBL22453441 0.77 TDP1 (0.37) EPHX2MEN1KMT2A
SCHEMBL2730836 0.77 EPHX2 (0.34) EPHX2MEN1KMT2APTPN11NR0B2
SCHEMBL9332143 0.71 MAPT (0.51) FFAR1HTR2ASLC6A4KCNH2L3MBTL1
SCHEMBL22453702 0.71 PTPN11 (0.45) EPHX2MEN1KMT2APTPN11NR0B2

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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