SCHEMBL17859366

SCHEMBL17859366

CC(C)(C)OC(=O)NCc1cc2cc(-c3ccc(C(=O)N4CCC(F)(F)CC4)cc3)cc(-c3ccc(F)cc3)c2s1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PAK4 O96013 2/20 0.46
▸ NAMPT P43490 1/20 0.46
▸ PAK1 Q13153 1/20 0.46
▸ GRM2 Q14416 1/20 0.38
▸ LIPC P11150 2/20 0.37
▸ NPC1L1 Q9UHC9 7/20 0.37
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ RORC P51449 1/20 0.34
▸ RORB Q92753 1/20 0.34
▸ FASN P49327 1/20 0.34
▸ ENPP2 Q13822 1/20 0.33

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
SCHEMBL19742290 0.88 PAK4 (0.49) PAK4NAMPTPAK1LIPCHDAC1
SCHEMBL16379647 0.84 PAK4 (0.63) PAK4NAMPTPAK1GRM2LIPC
SCHEMBL19753621 0.84 PAK4 (0.47) PAK4NAMPTPAK1LIPCHDAC1
SCHEMBL18541372 0.83 PAK4 (0.46) PAK4NAMPTPAK1GRM2LIPC
SCHEMBL18541435 0.82 PAK4 (0.48) PAK4NAMPTPAK1GRM2LIPC
SCHEMBL18541399 0.81 PAK4 (0.49) PAK4NAMPTPAK1GRM2LIPC
SCHEMBL19078998 0.80 NAMPT (0.58) PAK4NAMPTPAK1LIPCHDAC1
SCHEMBL18542169 0.80 PAK4 (0.46) PAK4NAMPTPAK1GRM2LIPC
SCHEMBL19079065 0.79 NAMPT (0.46) PAK4NAMPTPAK1HDAC2HDAC1
SCHEMBL18329014 0.79 PAK4 (0.57) PAK4NAMPTPAK1GRM2LIPC

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
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