SCHEMBL7183524

SCHEMBL7183524

CC(C)(c1cc(N)cc(C(F)(F)F)c1)c1ccc(N)cc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
GAA P10253 2/20 0.47
GLA P06280 1/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.43
KIF11 P52732 4/20 0.38
NR1H2 P55055 1/20 0.36
NR2E1 Q9Y466 1/20 0.34
AR P10275 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SRC P12931 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
ATM Q13315 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL7195547 0.84 TSHR (0.52) TSHRGAAGLAPOLBMAPK1
SCHEMBL7195566 0.84 GAA (0.59) TSHRGAAGLAPOLBMAPK1
SCHEMBL7189031 0.83 TSHR (0.56) TSHRGAAGLAPOLBMAPK1
SCHEMBL7194251 0.80 TSHR (0.47) TSHRGAAGLAPOLBMAPK1
SCHEMBL7189481 0.80 TSHR (0.46) TSHRMAPK1KIF11NR2E1ALDH1A1
SCHEMBL7182065 0.79 KIF11 (0.50) TSHRGAAGLAPOLBMAPK1
SCHEMBL28176114 0.76 GAA (0.59) TSHRGAAGLAPOLBMAPK1
SCHEMBL7192380 0.76 TSHR (0.66) TSHRMAPK1KIF11NR2E1ALDH1A1
SCHEMBL7186572 0.75 FFAR4 (0.41) TSHRGAAGLAPOLBMAPK1
SCHEMBL827884 0.75 TSHR (0.70) TSHRGAAGLAPOLBMAPK1

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-20030064235-A1 Optical members made of polymide resins MITSUI CHEMICALS, INC. (JP) 2003-04-03 US disclosed
EP-1237015-A1 OPTICAL MEMBERS MADE OF POLYIMIDE RESINS Mitsui Chemicals, Inc. (JP) 2002-09-04 EP disclosed