SCHEMBL7544397

SCHEMBL7544397

Nc1ccc(-c2ccc(N)cc2C(F)(F)CF)c(C(F)(F)CF)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.63
GAA P10253 2/20 0.63
POLB P06746 2/20 0.63
GLA P06280 1/20 0.63
PDK2 Q15119 2/20 0.36
NR1H2 P55055 1/20 0.35
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 5/20 0.32
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
KIF11 P52732 3/20 0.32
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 3/20 0.32
KDM4E B2RXH2 3/20 0.32
AR P10275 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 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
SCHEMBL6447368 0.79 TSHR (0.42) TSHRGAAPOLBGLAPDK2
SCHEMBL29350569 0.78 TSHR (1.00) TSHRGAAPOLBGLAPDK2
SCHEMBL17451259 0.78 TSHR (1.00) TSHRGAAPOLBGLAPDK2
SCHEMBL109685 0.78 TSHR (1.00) TSHRGAAPOLBGLAPDK2
SCHEMBL15547708 0.78 KIF11 (0.47) TSHRGAAPOLBGLANR1H2
SCHEMBL9904797 0.76 TSHR (0.41) TSHRGAAPOLBGLAPDK2
Hydrochloric Acid SCHEMBL8642589 0.76 TSHR (0.95) TSHRGAAPOLBGLAPDK2
Water SCHEMBL20506731 0.76 TSHR (0.95) TSHRGAAPOLBGLAPDK2
Ammonia Solution, Strong SCHEMBL6812982 0.76 TSHR (0.95) TSHRGAAPOLBGLAPDK2
SCHEMBL22589784 0.74 TSHR (0.91) TSHRGAAPOLBGLAPDK2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0725284-B1 Ocular lens material MENICON CO LTD (JP) 2002-05-22 EP disclosed
EP-0634673-B1 Ocular lens material MENICON CO LTD (JP) 1999-10-20 EP disclosed
US-5703143-A SILICON-CONTAINING POLYPHENYLENE ETHER POLYMER MENICON CO., LTD. (JP) 1997-12-30 US disclosed
US-5605942-A POLYIMIDE HAVING EXCELLENT TRANSPARENCY, OXYGEN PERMEABILITY, HEAT RESISTANCE, ULTRAVIOLET LIGHT ABSORPTION MENICON CO., LTD. (JP) 1997-02-25 US disclosed
EP-0725284-A2 Ocular lens material Menicon Co., Ltd. (JP) 1996-08-07 EP disclosed
EP-0634673-A1 Ocular lens material Menicon Co., Ltd. (JP) 1995-01-18 EP disclosed