SCHEMBL7184500

SCHEMBL7184500

Nc1cc(C(F)(F)F)cc(C(c2ccc(N)c(C(F)(F)F)c2)(C(F)(F)F)C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
FFAR4 Q5NUL3 7/20 0.35
FFAR1 O14842 3/20 0.35
KIF11 P52732 2/20 0.35
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
CES2 O00748 1/20 0.34
PTPN5 P54829 2/20 0.33
ALDH1A1 P00352 2/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ESR1 P03372 1/20 0.32
ESR2 Q92731 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
SCHEMBL6668409 0.88 FFAR4 (0.41) TSHRFFAR4FFAR1KIF11GLA
SCHEMBL7183547 0.85 KIF11 (0.42) TSHRMAPK1FFAR4FFAR1KIF11
SCHEMBL7182077 0.84 TSHR (0.55) TSHRMAPK1FFAR4FFAR1KIF11
SCHEMBL7184496 0.82 TSHR (0.46) TSHRMAPK1KIF11GLAPOLB
SCHEMBL7194676 0.81 KIF11 (0.50) TSHRMAPK1KIF11GLAPOLB
SCHEMBL7186572 0.81 FFAR4 (0.41) TSHRMAPK1FFAR4FFAR1KIF11
SCHEMBL185847 0.78 CES2 (0.50) TSHRMAPK1FFAR4FFAR1KIF11
SCHEMBL7186632 0.78 TSHR (0.66) TSHRMAPK1KIF11GAACES2
SCHEMBL14121304 0.78 TSHR (0.53) TSHRMAPK1FFAR4FFAR1KIF11
SCHEMBL7194251 0.75 TSHR (0.47) TSHRMAPK1KIF11GLAPOLB

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