SCHEMBL17859305

SCHEMBL17859305

CC(C)(C)OC(=O)NCc1nc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(C(F)(F)F)c2s1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LIPC P11150 5/20 0.40
▸ HDAC4 P56524 1/20 0.38
▸ NPC1L1 Q9UHC9 6/20 0.37
▸ RORC P51449 3/20 0.36
▸ CRBN Q96SW2 2/20 0.35
▸ RORB Q92753 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ ERN1 O75460 1/20 0.35
▸ CACNA1H O95180 1/20 0.35
▸ CACNA1B Q00975 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35

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
SCHEMBL17859500 0.91 PAK4 (0.38) LIPCRORCCRBN
SCHEMBL19742285 0.89 LIPC (0.41) LIPCRORCLIPGERN1
SCHEMBL17859309 0.83 LIPC (0.41) LIPCHDAC4LIPGERN1
SCHEMBL19742270 0.80 PAK4 (0.40) LIPCRORC
SCHEMBL19079582 0.79 PAK4 (0.48) LIPCHDAC4NPC1L1PDE3BPDE3A
SCHEMBL17859239 0.79 PAK4 (0.59) LIPCRORCLIPGERN1
SCHEMBL17859532 0.78 PAK4 (0.41) HDAC4RORC
SCHEMBL19742286 0.76 LIPC (0.38) LIPCHDAC4ERN1
SCHEMBL18541397 0.76 PAK4 (0.39) LIPCHDAC4NPC1L1LIPG
SCHEMBL17859366 0.75 PAK4 (0.46) LIPCHDAC4NPC1L1RORCRORB

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-2016100515-A1 CYCLIC COMPOUNDS AND USES THEREOF Karyopharm Therapeutics Inc. (US) 2016-06-23 — — WO disclosed
Send feedback