SCHEMBL9407102

SCHEMBL9407102

CCCCCc1ccc(OC(=O)c2ccc(C#N)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.57
HSD17B10 Q99714 1/20 0.57
THRB P10828 2/20 0.54
THRA P10827 1/20 0.54
MGLL Q99685 2/20 0.54
MAPT P10636 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.50
LMNA P02545 2/20 0.50
RAB9A P51151 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
F2 P00734 1/20 0.48
PRSS1 P07477 1/20 0.47

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
SCHEMBL4652053 1.00 TSHR (0.57) TSHRHSD17B10THRBTHRAMGLL
SCHEMBL9853910 1.00 TSHR (0.57) TSHRHSD17B10THRBTHRAMGLL
SCHEMBL8375386 1.00 TSHR (0.57) TSHRHSD17B10THRBTHRAMGLL
SCHEMBL14131956 0.99 TSHR (0.59) TSHRHSD17B10THRBTHRAMGLL
SCHEMBL11737192 0.99 TSHR (0.59) TSHRHSD17B10THRBTHRAMGLL
SCHEMBL11708842 0.99 TSHR (0.59) TSHRHSD17B10THRBTHRAMGLL
SCHEMBL8021326 0.99 TSHR (0.59) TSHRHSD17B10THRBTHRAMGLL
SCHEMBL3062886 0.99 TSHR (0.59) TSHRHSD17B10THRBTHRAMGLL
SCHEMBL4651827 0.99 TSHR (0.59) TSHRHSD17B10THRBTHRAMGLL
SCHEMBL4650717 0.99 TSHR (0.59) TSHRHSD17B10THRBTHRAMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5331448-A Liquid crystal display device and preparation and use thereof SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1994-07-19 US disclosed
EP-0523256-A1 LIQUID CRYSTAL DISPLAY DEVICE, AND MANUFACTURE AND APPLICATION THEREOF SUMITOMO ELECTRIC INDUSTRIES, LTD. (JP) 1993-01-20 EP disclosed
US-4051176-A COMPLEMENT INHIBITORS AMERICAN CYANAMID COMPANY (US) 1977-09-27 US disclosed
US-4004848-A AZOXYBENZENES KABUSHIKI KAISHA SUWA SEIKOSHA (JA) 1977-01-25 US disclosed