SCHEMBL31448288

SCHEMBL31448288

Cc1cc(C(F)(F)F)cc(-c2cc(C(F)(F)F)cc(C)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
NR2E1 Q9Y466 1/20 0.35
RAPGEF4 Q8WZA2 1/20 0.34
IKBKB O14920 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
HTT P42858 1/20 0.34
SORT1 Q99523 1/20 0.34
GAA P10253 2/20 0.34
RAD51 Q06609 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CES2 O00748 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
SCHEMBL10025587 0.87 HSP90AA1 (0.46) HSP90AA1HSP90AB1NR2E1RAPGEF4IKBKB
SCHEMBL13162509 0.84 DHODH (0.42) HSP90AA1HSP90AB1IKBKBHSD17B10HTT
SCHEMBL30638950 0.82 MPL (0.50) HSP90AA1HSP90AB1HPGDHSD17B10HTT
SCHEMBL9737789 0.79 HSP90AA1 (0.41) HSP90AA1HSP90AB1NR2E1RAPGEF4IKBKB
SCHEMBL10271822 0.79 HSP90AA1 (0.55) HSP90AA1HSP90AB1NR2E1HPGDHSD17B10
SCHEMBL23691461 0.78 POLB (0.41) HPGDHTTGAANPC1MAPT
SCHEMBL609557 0.77 HSP90AA1 (0.39) HSP90AA1HSP90AB1NR2E1SORT1GAA
SCHEMBL1972458 0.77 NOS3 (0.52) HSP90AA1HSP90AB1NR2E1RAPGEF4IKBKB
SCHEMBL562878 0.77 HSP90AA1 (0.39) HSP90AA1HSP90AB1NR2E1HTTGAA
SCHEMBL2596390 0.77 HSP90AA1 (0.39) HSP90AA1HSP90AB1NR2E1RAPGEF4IKBKB

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-2025093859-A1 COMPLEX AND PROCESS JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2025-05-08 WO disclosed