SCHEMBL29140652

SCHEMBL29140652

Nc1ccc(C(F)(F)C(F)(F)F)c(N)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.45
POLB P06746 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
CASP1 P29466 2/20 0.39
KIF11 P52732 3/20 0.38
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
TDP1 Q9NUW8 3/20 0.33
ALDH1A1 P00352 3/20 0.33
AR P10275 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 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
SCHEMBL1554380 0.84 TSHR (0.39) TSHRPOLBGAAGLACASP1
SCHEMBL1554371 0.84 TSHR (0.39) TSHRPOLBGAAGLACASP1
SCHEMBL1554300 0.84 TSHR (0.39) TSHRPOLBGAAGLACASP1
SCHEMBL29140660 0.82 TSHR (0.50) TSHRPOLBGAAGLACASP1
SCHEMBL29460325 0.81 TSHR (0.60) TSHRPOLBGAAGLACASP1
SCHEMBL711538 0.81 TSHR (0.60) TSHRPOLBGAAGLACASP1
SCHEMBL12724450 0.78 SMN1; SMN2 (0.52) TSHRPOLBGAAGLACASP1
SCHEMBL9198448 0.78 ALDH1A1 (0.48) TSHRPOLBGAAGLACASP1
SCHEMBL2140623 0.77 TSHR (0.68) TSHRPOLBGAAGLACASP1
SCHEMBL20869797 0.75 KIF11 (0.41) TSHRPOLBGAAGLACASP1

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
CN-117202984-A Polyimide porous film 东京应化工业株式会社 2023-12-08 CN disclosed
WO-2022230546-A1 POROUS POLYIMIDE FILM 東京応化工業株式会社 2022-11-03 WO disclosed