SCHEMBL8999913

SCHEMBL8999913

O=C1C=CC(=O)N1c1cc(C(F)(F)F)cc(C(c2cc(N3C(=O)C=CC3=O)cc(C(F)(F)F)c2)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR6 P51684 2/20 0.41
HSP90AA1 P07900 2/20 0.41
MGLL Q99685 9/20 0.39
FAAH O00519 6/20 0.39
JUN P05412 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
NSD2 O96028 1/20 0.38
G6PD P11413 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ADRB1 P08588 1/20 0.36
CFTR P13569 1/20 0.35
CES2 O00748 1/20 0.34
BCHE P06276 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
SCHEMBL8730226 0.91 CCR6 (0.48) CCR6HSP90AA1MGLLFAAHJUN
SCHEMBL8999943 0.84 MGLL (0.47) CCR6HSP90AA1MGLLFAAHNSD2
SCHEMBL3169376 0.81 HSP90AA1 (0.44) CCR6HSP90AA1MGLLFAAHJUN
SCHEMBL8766785 0.81 MGLL (0.44) CCR6HSP90AA1MGLLFAAH
SCHEMBL27558828 0.79 MGLL (0.46) CCR6HSP90AA1MGLLFAAHJUN
SCHEMBL6048054 0.77 MGLL (0.46) CCR6HSP90AA1MGLLFAAHNSD2
SCHEMBL3169842 0.77 CCR6 (0.40) CCR6HSP90AA1MGLLFAAHJUN
SCHEMBL3173646 0.77 HSP90AA1 (0.43) CCR6HSP90AA1MGLLFAAHNSD2
SCHEMBL8930752 0.77 MGLL (0.60) HSP90AA1MGLLFAAH
SCHEMBL6048061 0.76 CCR6 (0.39) CCR6HSP90AA1MGLLFAAHJUN

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-5578697-A DIELECTRIC POLYMERS FOR ELECTRONICS KABUSHIKI KAISHA TOSHIBA (JP) 1996-11-26 US disclosed