SCHEMBL20033488

SCHEMBL20033488

CC1(C)COB(c2cccc(C(=O)N3CCOCC3)c2)O1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
HPGD P15428 3/20 0.47
RAB9A P51151 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 3/20 0.46
RECQL P46063 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 0.44
CNR1 P21554 1/20 0.44
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL30765381 0.85 L3MBTL1 (0.55) L3MBTL1KDM4EHPGDRAB9AMEN1
SCHEMBL15551701 0.85 L3MBTL1 (0.55) L3MBTL1KDM4EHPGDRAB9AMEN1
SCHEMBL16687456 0.75 HPGD (0.55) L3MBTL1HPGDRAB9AMEN1KMT2A
SCHEMBL13336459 0.75 HPGD (0.51) L3MBTL1HPGDRAB9AMEN1KMT2A
SCHEMBL10720509 0.75 L3MBTL1 (0.71) L3MBTL1KDM4EHPGDRAB9AMEN1
SCHEMBL18274825 0.74 HPGD (0.56) HPGDRAB9AMEN1KMT2ATSHR
SCHEMBL15551438 0.74 HPGD (0.56) HPGDRAB9AMEN1KMT2ATSHR
SCHEMBL585882 0.73 HPGD (0.49) L3MBTL1HPGDMEN1KMT2ATSHR
SCHEMBL29709543 0.73 HPGD (0.49) L3MBTL1HPGDMEN1KMT2ATSHR
SCHEMBL15538911 0.72 HPGD (0.46) L3MBTL1KDM4EHPGDRAB9ATSHR

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
US-9938258-B2 Substituted 2,3-dihydrobenzofuranyl compounds and uses thereof Karyopharm Therapeutics Inc. (US) 2018-04-10 US disclosed