SCHEMBL22453850

SCHEMBL22453850

O=C(Nc1ccc(C23CC4CC5CC(C2)C3(C5)C4)cc1)c1ccc(Oc2ccccc2C(=O)O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ RAB9A P51151 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ MITF O75030 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ CRHBP P24387 1/20 0.42
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ CRHR2 Q13324 1/20 0.42
▸ EPHX2 P34913 1/20 0.41
▸ PGR P06401 3/20 0.41
▸ NR1H4 Q96RI1 1/20 0.41
▸ HPSE Q9Y251 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ KCNQ3 O43525 1/20 0.39
▸ KCNQ2 O43526 1/20 0.39

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
SCHEMBL22452696 0.86 HIF1A (0.53) MEN1KMT2ARAB9APOLBL3MBTL1
SCHEMBL22453690 0.79 DHODH (0.47) MEN1KMT2ARAB9AL3MBTL1LMNA
SCHEMBL22453693 0.76 HIF1A (0.54) MEN1KMT2ARAB9AGAAEPHX2
SCHEMBL2746775 0.71 KDM4E (0.50) MEN1KMT2ARAB9ALMNAALDH1A1
SCHEMBL2746811 0.70 KDM4E (0.47) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL22452760 0.70 HIF1A (0.67) MEN1KMT2ARAB9AHIF1AEPAS1
SCHEMBL22453626 0.70 SERPINE1 (0.65) MEN1KMT2ARAB9APOLBEPHX2
SCHEMBL22453341 0.69 HIF1A (0.49) MEN1KMT2ARAB9APOLBL3MBTL1
SCHEMBL22453497 0.68 SERPINE1 (0.57) MEN1KMT2ALMNAEPHX2PGR
SCHEMBL22452527 0.68 SERPINE1 (0.57) MEN1KMT2ALMNAEPHX2PGR

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
Send feedback