SCHEMBL21451773

SCHEMBL21451773

N#CCCCCC(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MAPT P10636 1/20 0.34
PSEN1 P49768 2/20 0.32
PSEN2 P49810 2/20 0.32
APH1B Q8WW43 2/20 0.32
NCSTN Q92542 2/20 0.32
APH1A Q96BI3 2/20 0.32
PSENEN Q9NZ42 2/20 0.32
LOX P28300 1/20 0.30
LOXL3 P58215 1/20 0.30
LOXL2 Q9Y4K0 1/20 0.30
CYP3A4 P08684 1/20 0.30

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
SCHEMBL23578279 0.97 TSHR (0.38) TSHRALDH1A1TDP1MAPTPSEN1
SCHEMBL23588026 0.97 TSHR (0.38) TSHRALDH1A1TDP1MAPTPSEN1
SCHEMBL3588556 0.92
SCHEMBL1066661 0.79
SCHEMBL7235480 0.79 TSHR (0.36) TSHRALDH1A1TDP1MAPT
SCHEMBL23578302 0.79 TSHR (0.32) TSHR
SCHEMBL28913365 0.79 TSHR (0.32) TSHR
SCHEMBL25803941 0.79 TSHR (0.32) TSHR
SCHEMBL29184909 0.78 TSHR (0.39) TSHRALDH1A1TDP1MAPTLOX
SCHEMBL23588239 0.77 TSHR (0.35) TSHRALDH1A1TDP1MAPT

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-20190310551-A1 RADIATION-SENSITIVE COMPOSITION, PATTERN-FORMING METHOD AND METAL OXIDE JSR CORPORATION (JP) 2019-10-10 US disclosed
CN-1096156-A 5-replaces-2,4-diaminopyrimidine derivatives insecticide FMC CORP (US) 1994-12-14 CN disclosed