SCHEMBL4849154

SCHEMBL4849154

CCCCc1ccc([N+]#N)cc1.F[B-](F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ HSD17B10 Q99714 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ ESR1 P03372 2/20 0.40
▸ ADRA2A P08913 2/20 0.40
▸ ADORA3 P0DMS8 2/20 0.40
▸ TACR2 P21452 2/20 0.40
▸ SLC6A2 P23975 2/20 0.40
▸ SLC6A4 P31645 2/20 0.40
▸ SLC6A3 Q01959 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ LMNA P02545 1/20 0.40
▸ SHBG P04278 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ HSPD1 P10809 1/20 0.40
▸ ADRB3 P13945 1/20 0.40

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
SCHEMBL4861523 0.93 ESR1 (0.50) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL1165127 0.93 ESR1 (0.50) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL16698233 0.93 ESR1 (0.50) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL16697684 0.93 ESR1 (0.50) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL6409299 0.86 ESR1 (0.53) CA2HSD17B10ALDH1A1ESR1ADRA2A
SCHEMBL19829487 0.85 ESR1 (0.57) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL114795 0.85 ESR1 (0.57) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL21539565 0.85 ESR1 (0.57) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL6287956 0.85 ESR1 (0.57) HSD17B10ALDH1A1ESR1ADRA2AADORA3
SCHEMBL10820927 0.85 ESR1 (0.57) HSD17B10ALDH1A1ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103985845-B A kind of preparation method of modified phosphate ferrous lithium composite 中国科学院长春应用化学研究所 2016-08-24 — — CN 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
US-4097120-A Liquid crystalline compounds and mixtures U.S. PHILIPS CORPORATION (US) 1978-06-27 — — US disclosed
US-3984392-A ANISOTROPIC U.S. PHILIPS CORPORATION (US) 1976-10-05 — — US disclosed
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