SCHEMBL22452711

SCHEMBL22452711

O=C(Nc1ccccc1C(=O)O)c1ccc(Nc2ccc(C34CC5CCC3CCC(C5)C4)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 2/20 0.48
▸ SERPINE1 P05121 2/20 0.47
▸ CASP3 P42574 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ KCNK2 O95069 1/20 0.43
▸ KCNK10 P57789 1/20 0.43
▸ HIF1A Q16665 1/20 0.43
▸ EPAS1 Q99814 1/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SIRT2 Q8IXJ6 1/20 0.41
▸ PLK1 P53350 3/20 0.40
▸ PLK3 Q9H4B4 3/20 0.40

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
SCHEMBL22452488 0.85 SERPINE1 (0.64) DHODHSERPINE1CASP3SENP8SENP7
SCHEMBL22453629 0.82 SERPINE1 (0.48) DHODHSERPINE1MEN1KMT2APKM
SCHEMBL22453805 0.80 SERPINE1 (0.51) DHODHSERPINE1MEN1KMT2AHIF1A
SCHEMBL22453626 0.79 SERPINE1 (0.65) DHODHSERPINE1CASP3SENP8SENP7
SCHEMBL22452527 0.78 SERPINE1 (0.57) DHODHSERPINE1CASP3SENP8SENP7
SCHEMBL22453497 0.78 SERPINE1 (0.57) DHODHSERPINE1CASP3SENP8SENP7
SCHEMBL22452754 0.76 SERPINE1 (0.58) SERPINE1MEN1KMT2APKMHIF1A
SCHEMBL22453292 0.76 SERPINE1 (0.58) DHODHSERPINE1MEN1KMT2APKM
SCHEMBL22452715 0.76 SERPINE1 (0.64) DHODHSERPINE1MEN1KMT2APKM
SCHEMBL22453268 0.73 EPHX2 (0.55) MEN1KMT2ANPC1

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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