SCHEMBL7544401

SCHEMBL7544401

Nc1ccc(-c2ccc(N)cc2CC(F)(F)F)c(CC(F)(F)F)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
POLB P06746 2/20 0.50
GAA P10253 2/20 0.50
GLA P06280 1/20 0.50
PDK2 Q15119 2/20 0.38
MAPK1 P28482 3/20 0.35
ALDH1A1 P00352 5/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TDP1 Q9NUW8 2/20 0.34
CYP3A4 P08684 2/20 0.34
TP53 P04637 1/20 0.34
PRKCI P41743 1/20 0.34
MAPT P10636 3/20 0.33
PTPRC P08575 2/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
ACHE P22303 2/20 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
SCHEMBL22353300 0.89 GAA (0.71) TSHRPOLBGAAGLAPDK2
SCHEMBL6447369 0.77 TSHR (0.40) TSHRPOLBGAAGLAPDK2
SCHEMBL22722975 0.76 TSHR (0.43) TSHRPOLBGAAGLAPDK2
SCHEMBL15547709 0.76 ADRA2B (0.46) TSHRPOLBGAAGLAMAPK1
SCHEMBL9904799 0.74 TSHR (0.43) TSHRPOLBGAAGLAMAPK1
SCHEMBL30140345 0.74 CYP3A4 (0.48) TSHRPOLBGAAGLAMAPK1
SCHEMBL15966711 0.72 KDM4E (0.39) TSHRPOLBGAAGLAPDK2
SCHEMBL17987614 0.72 GAA (0.71) TSHRPOLBGAAGLAPDK2
SCHEMBL345797 0.71 PRKCI (0.45) TSHRPOLBGAAGLAMAPK1
SCHEMBL10486849 0.69 ALDH1A1 (0.34) TSHRPOLBGAAGLAALDH1A1

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 7 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
US-5543442-A POLYIMIDESILOXANE COPOLYMER MENICON CO., LTD. (JP) 1996-08-06 US disclosed
EP-0634673-A1 Ocular lens material Menicon Co., Ltd. (JP) 1995-01-18 EP disclosed