SCHEMBL22191895

SCHEMBL22191895

Cc1ccc(S(=O)(=O)N2CCC3(CC2)OCCN3S(=O)(=O)c2c(C)cc(C)cc2C)cc1

nearest known ligand 0.75

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.75
▸ ALDH1A1 P00352 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ PKM P14618 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL12621845 0.89 L3MBTL1 (0.65) L3MBTL1ALDH1A1PKM
SCHEMBL13035869 0.84 L3MBTL1 (0.60) L3MBTL1ALDH1A1PKM
SCHEMBL12626029 0.81 ALDH1A1 (0.60) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL12621982 0.81 ALDH1A1 (0.60) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL12624020 0.79 L3MBTL1 (0.58) L3MBTL1ALDH1A1
SCHEMBL12626006 0.79 L3MBTL1 (0.58) L3MBTL1ALDH1A1
SCHEMBL12621987 0.79 KMT2A (0.64) L3MBTL1ALDH1A1MEN1PKMKMT2A
SCHEMBL12621946 0.78 L3MBTL1 (0.61) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL12621992 0.77 L3MBTL1 (0.57) L3MBTL1ALDH1A1
SCHEMBL17530750 0.77 NPC1 (0.58) L3MBTL1ALDH1A1PKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3906226-A1 HTRA INHIBITORS AND CAGA INHIBITORS AND USE THEREOF Psomagen, Inc. (US) 2021-11-10 — — EP claimed
WO-2020142764-A1 HTRA INHIBITORS AND CAGA INHIBITORS AND USE THEREOF Psomagen Inc. (US) 2020-07-09 — — WO claimed
EP-3906226-A1 HTRA INHIBITORS AND CAGA INHIBITORS AND USE THEREOF Psomagen, Inc. (US) 2021-11-10 — — EP disclosed
WO-2020142764-A1 HTRA INHIBITORS AND CAGA INHIBITORS AND USE THEREOF Psomagen Inc. (US) 2020-07-09 — — WO disclosed
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