SCHEMBL7183547

SCHEMBL7183547

Nc1ccc(C(c2ccc(N)c(C(F)(F)F)c2)(C(F)(F)F)C(F)(F)F)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 3/20 0.42
TSHR P16473 2/20 0.41
GLA P06280 1/20 0.41
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
FFAR4 Q5NUL3 7/20 0.38
FFAR1 O14842 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.35
AR P10275 1/20 0.33
MAOB P27338 1/20 0.33
MAPK1 P28482 1/20 0.33
PDE7A Q13946 1/20 0.33
CES2 O00748 1/20 0.33
PTGS1 P23219 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
SCHEMBL6668409 0.93 FFAR4 (0.41) KIF11TSHRGLAPOLBGAA
SCHEMBL7184500 0.85 TSHR (0.38) KIF11TSHRGLAPOLBGAA
SCHEMBL7182077 0.85 TSHR (0.55) KIF11TSHRGLAPOLBGAA
SCHEMBL10036587 0.85 SMN1; SMN2 (0.54) KIF11TSHRGLAPOLBGAA
SCHEMBL20869791 0.83 ESR1 (0.43) KIF11TSHRGLAPOLBGAA
SCHEMBL10002098 0.82 SMN1; SMN2 (0.41) KIF11TSHRGAAESR1ESR2
SCHEMBL107817 0.80 ESR1 (0.56) KIF11TSHRGLAPOLBGAA
SCHEMBL203678 0.80 ESR1 (0.56) KIF11TSHRGLAPOLBGAA
SCHEMBL10493869 0.80 ESR1 (0.56) KIF11TSHRGLAPOLBGAA
SCHEMBL7192451 0.79 FFAR4 (0.43) KIF11TSHRGLAPOLBGAA

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