SCHEMBL22453627

SCHEMBL22453627

CN(c1cccc(C(=O)Nc2ccc(C34CC5CC(C3)C(C3C6CC7CC3CC(c3ccc(Nc8ccc(C(=O)Nc9ccccc9C(=O)O)cc8)c(Cl)c3)(C7)C6)C(C5)C4)cc2)c1)c1ccccc1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 2/20 0.46
▸ MEN1 O00255 6/20 0.37
▸ KMT2A Q03164 6/20 0.37
▸ ALDH1A1 P00352 4/20 0.37
▸ HTT P42858 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ PGR P06401 1/20 0.37
▸ PPARG P37231 1/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ NR1H4 Q96RI1 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ EPAS1 Q99814 1/20 0.36
▸ PKM P14618 1/20 0.35
▸ MAPK14 Q16539 2/20 0.35
▸ HPGD P15428 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ SUCNR1 Q9BXA5 1/20 0.34
▸ TP53 P04637 3/20 0.34

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
SCHEMBL22452717 0.82 SERPINE1 (0.48) SERPINE1MEN1KMT2AHTTRAB9A
SCHEMBL22452715 0.82 SERPINE1 (0.64) SERPINE1MEN1KMT2AALDH1A1HTT
SCHEMBL22452789 0.79 SERPINE1 (0.61) SERPINE1MEN1KMT2AALDH1A1HTT
SCHEMBL22453243 0.77 SERPINE1 (0.50) SERPINE1MEN1KMT2AALDH1A1HTT
SCHEMBL22452704 0.75 SERPINE1 (0.61) SERPINE1MEN1KMT2AALDH1A1HTT
SCHEMBL22453520 0.74 SERPINE1 (0.51) SERPINE1MEN1KMT2AALDH1A1NPC1
SCHEMBL31555349 0.74 SERPINE1 (0.51) SERPINE1MEN1KMT2AALDH1A1NPC1
SCHEMBL22452527 0.74 SERPINE1 (0.57) SERPINE1MEN1KMT2ANPC1PGR
SCHEMBL22453497 0.74 SERPINE1 (0.57) SERPINE1MEN1KMT2ANPC1PGR
SCHEMBL22452486 0.74 HIF1A (0.50) SERPINE1MEN1KMT2AALDH1A1RAB9A

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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