SCHEMBL4861523

SCHEMBL4861523

CCCCCCCCCCCCc1ccc([N+]#N)cc1.F[B-](F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.50
▸ ADRA2A P08913 2/20 0.50
▸ ADORA3 P0DMS8 2/20 0.50
▸ TACR2 P21452 2/20 0.50
▸ SLC6A2 P23975 2/20 0.50
▸ SLC6A4 P31645 2/20 0.50
▸ SLC6A3 Q01959 2/20 0.50
▸ HSD17B10 Q99714 2/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ SHBG P04278 1/20 0.50
▸ TP53 P04637 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ HSPD1 P10809 1/20 0.50
▸ ADRB3 P13945 1/20 0.50
▸ HTR2C P28335 1/20 0.50
▸ HSPE1 P61604 1/20 0.50
▸ HIF1A Q16665 1/20 0.50
▸ TST Q16762 1/20 0.50

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
SCHEMBL1165127 1.00 ESR1 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL16698233 1.00 ESR1 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL16697684 1.00 ESR1 (0.50) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL4849154 0.93 CA2 (0.43) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL114795 0.93 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL19829487 0.93 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL10820927 0.93 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL21539565 0.93 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
SCHEMBL6287956 0.93 ESR1 (0.57) ESR1ADRA2AADORA3TACR2SLC6A2
Hydrochloric Acid SCHEMBL10821042 0.91 ESR1 (0.55) ESR1ADRA2AADORA3TACR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10475549-B2 Structure including molecular monolayer and graphene electrode, flexible electronic device, and method of producing the same Research & Business Foundation Sungkyunkwan University (KR) 2019-11-12 — — US disclosed
US-20150129280-A1 STRUCTURE INCLUDING MOLECULAR MONOLAYER AND GRAPHENE ELECTRODE, FLEXIBLE ELECTRONIC DEVICE, AND METHOD OF PRODUCING THE SAME Research & Business Foundation Sungkyunkwan University (KR) 2015-05-14 — — US disclosed
CN-103985845-A Preparation method for modified lithium iron phosphate composite material CHANGCHUN APPLIED CHEMISTRY 2014-08-13 — — CN disclosed
US-7364648-B2 Electromechanical reduction of a diazonium salt to modify the surface of a metallic material UNIVERSITE PARIS 7-DENIS DIDEROT (FR) 2008-04-29 — — US disclosed
US-7182822-B2 Metal material with modified surface, preparation method and use of same UNIVERSITE PARIS 7-DENIS DIDEROT (FR) 2007-02-27 — — US disclosed
EP-1455000-B1 Surface modified metallic material, method for preparing it and use of said material UNIV PARIS 7 DENIS DIDEROT (FR) 2006-10-25 — — EP disclosed
US-20050202166-A1 Metal material with modified surface, preparation method and use of same UNIVERSITE PARIS 7-DENIS DIDEROT (FR) 2005-09-15 — — US disclosed
EP-1455000-A2 Surface modified metallic material, method for preparing it and use of said material UNIVERSITE PARIS 7 - Denis DIDEROT (FR) 2004-09-08 — — EP disclosed
US-20030162039-A1 Metal material with modified surface, preparation method and use of same UNIVERSITE PARIS 7-DENIS DIDEROT (FR) 2003-08-28 — — US disclosed
EP-1255877-A1 METAL MATERIAL WITH MODIFIED SURFACE, PREPARATION METHOD AND USE OF SAME UNIVERSITE PARIS 7 - Denis DIDEROT (FR) 2002-11-13 — — EP disclosed
WO-2001059178-A1 METAL MATERIAL WITH MODIFIED SURFACE, PREPARATION METHOD AND USE OF SAME UNIVERSITE PARIS 7-DENIS DIDEROT (FR) 2001-08-16 — — WO disclosed
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