SCHEMBL9560288

SCHEMBL9560288

CCc1cnc(-c2ccc(C(=O)OCC(F)(F)C(F)(F)C(F)(F)C(F)F)cc2)nc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
USP2 O75604 1/20 0.42
TSHR P16473 1/20 0.42
RARB P10826 2/20 0.37
RAB9A P51151 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
TP53 P04637 1/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2C19 P33261 2/20 0.35
PDGFRB P09619 1/20 0.35
PDGFRA P16234 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
MAOB P27338 1/20 0.32
THRB P10828 2/20 0.32
SLC2A1 P11166 1/20 0.32
PDK2 Q15119 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL9560858 0.96 MAPT (0.48) MAPTUSP2TSHRRARBRAB9A
SCHEMBL9560604 0.96 MAPT (0.48) MAPTUSP2TSHRRARBRAB9A
SCHEMBL9560741 0.96 MAPT (0.48) MAPTUSP2TSHRRARBRAB9A
SCHEMBL9560635 0.92 RARB (0.42) MAPTUSP2TSHRRARBRAB9A
SCHEMBL9560710 0.90 RARB (0.53) MAPTUSP2TSHRRARBRAB9A
SCHEMBL9560562 0.89 RARB (0.55) MAPTUSP2TSHRRARBRAB9A
SCHEMBL9560697 0.89 RARB (0.55) MAPTUSP2TSHRRARBRAB9A
SCHEMBL9560603 0.88 MAPT (0.46) MAPTUSP2TSHRRARBRAB9A
SCHEMBL9560513 0.88 MAPT (0.46) MAPTUSP2TSHRRARBRAB9A
SCHEMBL9560607 0.88 MAPT (0.46) MAPTUSP2TSHRRARBRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5190688-A Perfluoroalkyl Compounds Dopes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-03-02 US disclosed
EP-0300009-B1 LIQUID CRYSTALLINE MIXTURE MERCK PATENT GmbH (DE) 1992-01-02 EP disclosed